SCHEMBL10172754

SCHEMBL10172754

CSc1ccc(COC(C)=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
CYP3A4 P08684 1/20 0.47
KDM4E B2RXH2 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
SLC6A4 P31645 4/20 0.41
ACACB O00763 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ATM Q13315 1/20 0.41
PLK1 P53350 1/20 0.40
MAOA P21397 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL13373425 0.87 ALDH1A1 (0.46) ALDH1A1CYP3A4KDM4ESMN1; SMN2RAB9A
SCHEMBL8794135 0.86 ALDH1A1 (0.62) ALDH1A1CYP3A4KDM4ESMN1; SMN2RAB9A
SCHEMBL132773 0.85 ALDH1A1 (0.78) ALDH1A1CYP3A4KDM4EMAPTMEN1
SCHEMBL19564954 0.85 ALDH1A1 (0.56) ALDH1A1CYP3A4KDM4ESMN1; SMN2RAB9A
SCHEMBL11839840 0.85 RAB9A (0.46) ALDH1A1CYP3A4KDM4ESMN1; SMN2RAB9A
SCHEMBL28680322 0.85 KDM4E (0.46) ALDH1A1KDM4ESMN1; SMN2RAB9ANPC1
Hydrochloric Acid SCHEMBL11839850 0.83 RAB9A (0.45) ALDH1A1CYP3A4KDM4ESMN1; SMN2RAB9A
SCHEMBL8794149 0.83 ALDH1A1 (0.58) ALDH1A1CYP3A4KDM4ESMN1; SMN2RAB9A
SCHEMBL3136937 0.82 KDM4E (0.42) ALDH1A1KDM4ESMN1; SMN2RAB9ANPC1
SCHEMBL11743167 0.82 KDM4E (0.45) ALDH1A1KDM4ESMN1; SMN2RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240240226-A1 FLUOROGENIC ASSAY FOR RAPID SCREENING OF BACTERIAL BETA-LACTAMASE ACTIVITY UNIV LELAND STANFORD JUNIOR (US) 2024-07-18 US disclosed
US-20240240226-A1 FLUOROGENIC ASSAY FOR RAPID SCREENING OF BACTERIAL BETA-LACTAMASE ACTIVITY UNIV LELAND STANFORD JUNIOR (US) 2024-07-18 US disclosed
US-20230346752-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING PURDUE RESEARCH FOUNDATION 2023-11-02 US disclosed
US-20230293497-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING PURDUE RESEARCH FOUNDATION (US) 2023-09-21 US disclosed
US-11717514-B2 PSMA binding ligand-linker conjugates and methods for using PURDUE RESEARCH FOUNDATION (US) 2023-08-08 US disclosed
WO-2023091957-A1 PEPTIDE CONJUGATES OF PEPTIDIC TUBULIN INHIBITORS AS THERAPEUTICS CYBREXA 4, INC. (US) 2023-05-25 WO disclosed
US-10010618-B2 Methods for treating cancer using combination therapies ENDOCYTE, INC. (US) 2018-07-03 US disclosed
US-9951324-B2 PSMA binding ligand-linker conjugates and methods for using PURDUE RESEARCH FOUNDATION (US) 2018-04-24 US disclosed
US-20170320826-A1 BIVALENT LINKERS AND CONJUGATES THEREOF ENDOCYTE INC (US) 2017-11-09 US disclosed
US-9782493-B2 Conjugates for treating diseases caused by PSMA expressing cells ENDOCYTE, INC. (US) 2017-10-10 US disclosed
US-20130158271-A1 BIVALENT LINKERS AND CONJUGATES THEREOF VLAHOV IONTCHO RADOSLAVOV (US) 2013-06-20 US disclosed
US-20130116195-A1 Binding ligand linked drug delivery conjugates of tubulysins LEAMON CHRISTOPHER PAUL (US) 2013-05-09 US disclosed
US-20120322741-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING PURDUE RESEARCH FOUNDATION (US) 2012-12-20 US disclosed
US-8288557-B2 Bivalent linkers and conjugates thereof ENDOCYTE, INC. (US) 2012-10-16 US disclosed
US-20120022245-A1 FOLATE TARGETING OF NUCLEOTIDES PURDUE RESEARCH FOUNDATION (US) 2012-01-26 US disclosed
US-20110172254-A1 FOLATE RECEPTOR BINDING CONJUGATES OF ANTIFOLATES ENDOCYTE, INC. (US) 2011-07-14 US disclosed
US-20110144163-A1 THIOLATED PACLITAXELS FOR REACTION WITH GOLD NANOPARTICLES AS DRUG DELIVERY AGENTS ZAHAV BIOSCIENCES LLC 2011-06-16 US disclosed
US-20100324008-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING PURDUE RESEARCH FOUNDATION (US) 2010-12-23 US disclosed
US-20100323973-A1 CONJUGATES CONTAINING HYDROPHILIC SPACER LINKERS ENDOCTYE, INC. 2010-12-23 US disclosed
US-20090203889-A1 Bivalent linkers and conjugates thereof ENDOCYTE, INC. (US) 2009-08-13 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-20230293497-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 ALDH1A1 2843/4885CYP3A4 4369/4885KDM4E 3215/4885
US-20120022245-A1 FOLATE TARGETING OF NUCLEOTIDES FOLR1, FOLR2, DHFR ALDH1A1 1932/4885CYP3A4 4614/4885KDM4E 3509/4885
US-20090203889-A1 Bivalent linkers and conjugates thereof CCNB2, PAICS, FOLR2 ALDH1A1 1872/4885CYP3A4 587/4885KDM4E 1685/4885
US-20130116195-A1 Binding ligand linked drug delivery conjugates of tubulysins TEK, TEKT1, CD2BP2 ALDH1A1 4745/4885CYP3A4 4864/4885KDM4E 3346/4885
US-10010618-B2 Methods for treating cancer using combination therapies SLC7A11, CXCR2, TPX2 ALDH1A1 831/4885CYP3A4 3409/4885KDM4E 2811/4885
US-20120322741-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 ALDH1A1 2748/4885CYP3A4 4387/4885KDM4E 3111/4885
US-20100324008-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 ALDH1A1 2843/4885CYP3A4 4369/4885KDM4E 3215/4885
US-11717514-B2 PSMA binding ligand-linker conjugates and methods for using FOLH1, KLK3, PSMA1 ALDH1A1 2843/4885CYP3A4 4369/4885KDM4E 3215/4885
US-20240240226-A1 FLUOROGENIC ASSAY FOR RAPID SCREENING OF BACTERIAL BETA-LACTAMASE ACTIVITY CDA, CMBL, CTSF ALDH1A1 203/4885CYP3A4 560/4885KDM4E 2894/4885
US-20100323973-A1 CONJUGATES CONTAINING HYDROPHILIC SPACER LINKERS CD44, HAVCR2, HCAR1 ALDH1A1 2723/4885CYP3A4 4431/4885KDM4E 4752/4885
US-20130158271-A1 BIVALENT LINKERS AND CONJUGATES THEREOF PAICS, FOLR2, DCLRE1A ALDH1A1 2328/4885CYP3A4 2690/4885KDM4E 3584/4885
US-20230346752-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 ALDH1A1 2843/4885CYP3A4 4369/4885KDM4E 3215/4885
US-20110144163-A1 THIOLATED PACLITAXELS FOR REACTION WITH GOLD NANOPARTICLES AS DRUG DELIVERY AGENTS TUBB6, TUBB1, TUBB ALDH1A1 189/4885CYP3A4 391/4885KDM4E 4424/4885
US-20170320826-A1 BIVALENT LINKERS AND CONJUGATES THEREOF PAICS, FOLR2, DCLRE1A ALDH1A1 2328/4885CYP3A4 2690/4885KDM4E 3584/4885
US-20110172254-A1 FOLATE RECEPTOR BINDING CONJUGATES OF ANTIFOLATES FOLR1, FOLR2, DHFR ALDH1A1 1044/4885CYP3A4 3643/4885KDM4E 3965/4885

“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.