SCHEMBL9945703

SCHEMBL9945703

CC(C)CCOCCOCCOCCC(C)C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPK1 P28482 1/20 0.31
PIK3CD O00329 1/20 0.31
ESR1 P03372 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9945700 1.00 ALDH1A1 (0.46) ALDH1A1CA12CA1CA2CA9
SCHEMBL9945705 1.00 ALDH1A1 (0.46) ALDH1A1CA12CA1CA2CA9
SCHEMBL17401247 1.00 ALDH1A1 (0.46) ALDH1A1CA12CA1CA2CA9
SCHEMBL17401249 1.00 ALDH1A1 (0.46) ALDH1A1CA12CA1CA2CA9
SCHEMBL8731954 1.00 ALDH1A1 (0.46) ALDH1A1CA12CA1CA2CA9
SCHEMBL17401248 1.00 ALDH1A1 (0.46) ALDH1A1CA12CA1CA2CA9
SCHEMBL42956 0.96 ALDH1A1 (0.48) ALDH1A1CA12CA1CA2CA9
SCHEMBL10882313 0.94 ALDH1A1 (0.42) ALDH1A1CA12CA1CA2CA9
SCHEMBL4323031 0.93 ALDH1A1 (0.46) ALDH1A1CA12CA1CA2CA9
Potassium SCHEMBL2529395 0.93 ALDH1A1 (0.46) ALDH1A1CA12CA1CA2CA9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025863-A1 SOS1 PROTEIN DEGRADERS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS BIOTHERYX, INC. 2024-01-25 US disclosed
US-11802132-B2 Small molecules for inducing selective protein degradation and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-10-31 US disclosed
US-11793895-B2 Residualizing linkers and uses thereof CENTRE FOR PROBE DEVELOPMENT AND COMMERCIALIZATION 2023-10-24 US disclosed
US-20230219945-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-07-13 US disclosed
US-20230158159-A1 CHIMERIC DEGRADERS OF CYCLIN-DEPENDENT KINASE 9 AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-05-25 US disclosed
US-20230148436-A2 NOVEL SMALL MOLECULE IMMUNE AGONISTS AND IMMUNE TARGETING COMPOUNDS AND APPLICATION THEREOF SHENZHEN UNIVERSITY (CN) 2023-05-11 US disclosed
CN-115956403-A Method for manufacturing conductive laminate 株式会社大赛璐 2023-04-11 CN disclosed
US-20180208590-A1 NOVEL COMPOUNDS HAVING ESTROGEN RECEPTOR ALPHA DEGRADATION ACTIVITY AND USES THEREOF ACCUTAR BIOTECHNOLOGY INC. (US) 2018-07-26 US disclosed
US-20180169250-A1 COVALENT LINKERS IN ANTIBODY-DRUG CONJUGATES AND METHODS OF MAKING AND USING THE SAME REMEGEN CO., LTD. (CN) 2018-06-21 US disclosed
US-20180162784-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING Reiley Pharmaceuticals, Inc. 2018-06-14 US disclosed
US-20160002178-A1 POLYAMINE-FATTY ACID DERIVED LIPIDOIDS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-01-07 US disclosed
US-20150374858-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING Reiley Pharmaceuticals, Inc. 2015-12-31 US disclosed
WO-2015200187-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING Reiley Pharmaceuticals, Inc. (US) 2015-12-30 WO disclosed
US-20150119342-A1 New Homo- and Heterodimeric SMAC Mimetic Compounds as Apoptosis Inducers UNIVERSITA' DEGLI STUDI DI MILANO (IT) 2015-04-30 US disclosed
US-8808681-B2 Crosslinked, degradable polymers and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-08-19 US disclosed
US-8562966-B2 End-modified poly(beta-amino esters) and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-10-22 US disclosed
US-20120149630-A1 END-MODIFIED POLY(BETA-AMINO ESTERS) AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-06-14 US disclosed
US-20080242626-A1 End-Modified Poly(beta-amino esters) and Uses Thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-10-02 US disclosed
US-20080145338-A1 Acrylate-terminated poly(beta-amino esters); high throughput assay; biocompatability NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-06-19 US disclosed
US-20080145338-A1 Acrylate-terminated poly(beta-amino esters); high throughput assay; biocompatability NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-06-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (15 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080145338-A1 Acrylate-terminated poly(beta-amino esters); high throughput assay; biocompatability ACP1, ILK, BCAT2 ALDH1A1 891/4885CA12 3950/4885CA1 3602/4885
US-20120149630-A1 END-MODIFIED POLY(BETA-AMINO ESTERS) AND USES THEREOF PARN, PARG, POLL ALDH1A1 2664/4885CA12 3796/4885CA1 4029/4885
US-20230148436-A2 NOVEL SMALL MOLECULE IMMUNE AGONISTS AND IMMUNE TARGETING COMPOUNDS AND APPLICATION THEREOF IFNG, IFNAR1, STING1 ALDH1A1 4334/4885CA12 4520/4885CA1 4847/4885
US-20080242626-A1 End-Modified Poly(beta-amino esters) and Uses Thereof PARN, PARG, POLL ALDH1A1 2664/4885CA12 3796/4885CA1 4029/4885
US-20180208590-A1 NOVEL COMPOUNDS HAVING ESTROGEN RECEPTOR ALPHA DEGRADATION ACTIVITY AND USES THEREOF ESR2, ESRRG, ESR1 ALDH1A1 706/4885CA12 3469/4885CA1 3999/4885
US-20150119342-A1 New Homo- and Heterodimeric SMAC Mimetic Compounds as Apoptosis Inducers BID, BIRC2, API5 ALDH1A1 4485/4885CA12 4196/4885CA1 2862/4885
US-20180162784-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING PTGES3, PTGES, HPGDS ALDH1A1 626/4885CA12 287/4885CA1 648/4885
US-20180169250-A1 COVALENT LINKERS IN ANTIBODY-DRUG CONJUGATES AND METHODS OF MAKING AND USING THE SAME DHFR, FCGR1A, ADCY4 ALDH1A1 211/4885CA12 335/4885CA1 1325/4885
US-20150374858-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING PTGES3, PTGES, HPGDS ALDH1A1 626/4885CA12 287/4885CA1 648/4885
US-20230158159-A1 CHIMERIC DEGRADERS OF CYCLIN-DEPENDENT KINASE 9 AND USES THEREOF CDK9, CDK19, CRBN ALDH1A1 4013/4885CA12 2231/4885CA1 1811/4885
US-20230219945-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885CA12 4583/4885CA1 4622/4885
US-11793895-B2 Residualizing linkers and uses thereof CD44, CD47, MTCL3 ALDH1A1 619/4885CA12 42/4885CA1 554/4885
US-20240025863-A1 SOS1 PROTEIN DEGRADERS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS SOS1, SOS2, SOST ALDH1A1 3542/4885CA12 4613/4885CA1 4555/4885
US-20160002178-A1 POLYAMINE-FATTY ACID DERIVED LIPIDOIDS AND USES THEREOF SGMS2, SGMS1, ARG2 ALDH1A1 2532/4885CA12 4831/4885CA1 4799/4885
US-11802132-B2 Small molecules for inducing selective protein degradation and uses thereof BAZ2A, BRD3, BRPF3 ALDH1A1 4164/4885CA12 3834/4885CA1 4565/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.