SCHEMBL4004633

SCHEMBL4004633

OC1(C2(O)CCCC2)CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
TSHR P16473 2/20 0.32
CYP2C19 P33261 1/20 0.32
USP2 O75604 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
SCHEMBL11039676 1.00 ALDH1A1 (0.42) ALDH1A1TSHRCYP2C19USP2
SCHEMBL226936 1.00 ALDH1A1 (0.42) ALDH1A1TSHRCYP2C19USP2
SCHEMBL3708731 1.00 ALDH1A1 (0.42) ALDH1A1TSHRCYP2C19USP2
SCHEMBL3708709 1.00 ALDH1A1 (0.42) ALDH1A1TSHRCYP2C19USP2
SCHEMBL6048331 1.00 ALDH1A1 (0.42) ALDH1A1TSHRCYP2C19USP2
SCHEMBL535863 1.00 ALDH1A1 (0.42) ALDH1A1TSHRCYP2C19USP2
SCHEMBL8732941 1.00 ALDH1A1 (0.42) ALDH1A1TSHRCYP2C19USP2
SCHEMBL11423768 1.00 ALDH1A1 (0.42) ALDH1A1TSHRCYP2C19USP2
SCHEMBL18249750 0.96 ALDH1A1 (0.40) ALDH1A1TSHRCYP2C19
SCHEMBL4612532 0.95 ALDH1A1 (0.37) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836151-B1 VITAMIN D RECEPTOR MODULATORS LILLY CO ELI (US) 2009-04-01 EP claimed
CN-112074544-A Polymerizable monomer and polymerization method thereof 阿莱恩技术有限公司 2020-12-11 CN disclosed
US-9416123-B2 Kinase modulators for the treatment of cancer SYNOVO GMBH (DE) 2016-08-16 US disclosed
US-20140336225-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER SYNOVO GMBH (DE) 2014-11-13 US disclosed
WO-2013046041-A1 PYRIDINYLPYRAZOLES FOR USE AS KINASE MODULATORS FOR THE TREATMENT OF CANCER SYNOVO GMBH (DE) 2013-04-04 WO disclosed
US-7297804-B2 Catalytic composition of organotin compounds CHEMTURA ORGANOMETALICS GMBH (DE) 2007-11-20 US disclosed
US-20060047101-A1 Catalytic composition of organotin compounds CHEMTURA ORGANOMETALLICS GMBH (DE) 2006-03-02 US disclosed
US-20030146019-A1 Board and ink used for forming conductive pattern, and method using thereof FUJIFILM CORPORATION (JP) 2003-08-07 US disclosed
US-4837225-A ENCEPHALOTROPIC AND PSYCHOTROPIC EFFECTS CASSELL AKTIENGESELLSCHAFT (DE) 1989-06-06 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 (1 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-20140336225-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER DCK, MAP3K2, MAP3K19 ALDH1A1 4455/4885TSHR 1694/4885CYP2C19 4491/4885

“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.