SCHEMBL9945701

SCHEMBL9945701

CC(C)CCOCCCCCCOCCC(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
HTT P42858 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
THRB P10828 1/20 0.37
KMT2A Q03164 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
LMNA P02545 1/20 0.35
SPHK1 Q9NYA1 1/20 0.32
USP2 O75604 1/20 0.32
PRKCA P17252 1/20 0.32
TSHR P16473 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 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
SCHEMBL31086378 1.00 ALDH1A1 (0.40) ALDH1A1HTTMAPTMEN1THRB
SCHEMBL31086365 0.97 ALDH1A1 (0.42) ALDH1A1HTTMAPTMEN1THRB
SCHEMBL15199431 0.95 LMNA (0.43) ALDH1A1HTTMAPTMEN1THRB
SCHEMBL13684772 0.92 LMNA (0.46) ALDH1A1HTTMAPTMEN1THRB
SCHEMBL1244548 0.91 ALDH1A1 (0.42) ALDH1A1CA12CA1CA2CA9
SCHEMBL10389154 0.91 ALDH1A1 (0.46) ALDH1A1CA12CA1CA2CA9
SCHEMBL23854124 0.90 HTT (0.52) ALDH1A1HTTMAPTMEN1THRB
SCHEMBL4505703 0.90 HTT (0.52) ALDH1A1HTTMAPTMEN1THRB
SCHEMBL18902643 0.90 HTT (0.52) ALDH1A1HTTMAPTMEN1THRB
SCHEMBL3812389 0.90 HTT (0.52) ALDH1A1HTTMAPTMEN1THRB

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240299265-A1 ETHER COMPOUNDS AS VOLATILES FOR THE TREATMENT OF AMINO ACID BASED SUBSTRATES, SUCH AS SKIN AND HAIR MOMENTIVE PERFORMANCE MATERIALS GMBH (DE) 2024-09-12 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-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 (4 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 891/4885HTT 3457/4885MAPT 815/4885
US-20240299265-A1 ETHER COMPOUNDS AS VOLATILES FOR THE TREATMENT OF AMINO ACID BASED SUBSTRATES, SUCH AS SKIN AND HAIR BCAT1, BCAT2, TYR ALDH1A1 496/4885HTT 3221/4885MAPT 2990/4885
US-20120149630-A1 END-MODIFIED POLY(BETA-AMINO ESTERS) AND USES THEREOF PARN, PARG, POLL ALDH1A1 2664/4885HTT 259/4885MAPT 1942/4885
US-20080242626-A1 End-Modified Poly(beta-amino esters) and Uses Thereof PARN, PARG, POLL ALDH1A1 2664/4885HTT 259/4885MAPT 1942/4885

“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.