SCHEMBL4072387

SCHEMBL4072387

OCCOc1c[c]ccc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.57
RECQL P46063 1/20 0.57
GAA P10253 1/20 0.41
NR1I2 O75469 1/20 0.39
KCNA3 P22001 1/20 0.37
CYP3A4 P08684 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDK2 Q15119 1/20 0.36
IDO1 P14902 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
CYP19A1 P11511 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
PKM P14618 1/20 0.32
SYK P43405 1/20 0.32
APP P05067 1/20 0.31

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
SCHEMBL27795574 0.90 ALDH1A1 (0.45) ALDH1A1RECQLGAAKCNA3PDK2
SCHEMBL5668019 0.89 ALDH1A1 (0.46) ALDH1A1RECQLGAACYP3A4SMN1; SMN2
SCHEMBL28277418 0.89 ALDH1A1 (0.44) ALDH1A1RECQLKCNA3PDK2
SCHEMBL5704638 0.87 KCNA3 (0.42) ALDH1A1RECQLKCNA3SMN1; SMN2TAAR1
SCHEMBL27487980 0.87 ALDH1A1 (0.42) ALDH1A1RECQLKCNA3PDK2
SCHEMBL920448 0.84 ALDH1A1 (0.38) ALDH1A1RECQLKCNA3TAAR1CA12
SCHEMBL20603111 0.83
SCHEMBL129009 0.80 KMT2A (0.42) KCNA3SMN1; SMN2CA12CA1CA9
SCHEMBL16861350 0.80 HDAC3 (0.42) ALDH1A1RECQLKCNA3TAAR1
SCHEMBL920753 0.80 KCNA3 (0.37) ALDH1A1RECQLKCNA3TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111601810-A Inhibitors of indoleamine 2, 3-dioxygenase and/or tryptophan 2, 3-dioxygenase 爱杜西亚药品有限公司 2020-08-28 CN claimed
US-10675355-B2 VAR2CSA-drug conjugates VAR2 PHARMACEUTICALS APS (DK) 2020-06-09 US claimed
US-20180117163-A9 VAR2CSA-DRUG CONJUGATES ZYMEWORKS INC. (CA) 2018-05-03 US claimed
US-20170246310-A1 VAR2CSA-DRUG CONJUGATES ZYMEWORKS INC. (CA) 2017-08-31 US claimed
US-20170079954-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. 2017-03-23 US claimed
US-9540351-B2 Pharmaceutically acceptable salts of 3,5-diaminopyrazole kinase inhibitors AXIKIN PHARMACEUTICALS, INC. (US) 2017-01-10 US claimed
EP-3087091-A1 VAR2CSA-DRUG CONJUGATES Zymeworks Inc. (CA) 2016-11-02 EP claimed
EP-3046918-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS Axikin Pharmaceuticals, Inc. (US) 2016-07-27 EP claimed
US-9382237-B2 3,5-diaminopyrazole kinase inhibitors AXIKIN PHARMACEUTICALS, INC. (US) 2016-07-05 US claimed
US-9365556-B2 3,5-diaminopyrazole kinase inhibitors AXIKIN PHARMACEUTICALS, INC. (US) 2016-06-14 US claimed
US-20130303492-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. 2013-11-14 US claimed
US-20130274227-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. (US) 2013-10-17 US claimed
WO-2013138613-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. (US) 2013-09-19 WO claimed
WO-2013138617-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. (US) 2013-09-19 WO claimed
US-20060035922-A1 Triazolopyridinylsulfanyl derivatives as p38 MAP kinase inhibitors PFIZER INC. 2006-02-16 US claimed
EP-1194417-A1 PHENOXY FLUOROPYRIMIDINES BAYER AG (DE) 2002-04-10 EP claimed
EP-1127051-A2 TRICYCLIC PYRAZOLE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2001-08-29 EP claimed
WO-2000078733-A1 PHENOXY FLUOROPYRIMIDINES BAYER AKTIENGESELLSCHAFT (DE) 2000-12-28 WO claimed
WO-2000027822-A2 TRICYCLIC PYRAZOLE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-05-18 WO claimed
EP-0536896-B1 Imidazolidyl macrolides having immunosuppressive activity MERCK & CO INC (US) 1997-12-17 EP claimed

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

For each of this compound's patents that has machine-readable text (7 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-20060035922-A1 Triazolopyridinylsulfanyl derivatives as p38 MAP kinase inhibitors MAPK1, MAPKAPK5, MAPKAPK3 ALDH1A1 2400/4885RECQL 4179/4885GAA 1650/4885
US-20130274227-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS MAP3K13, MAP3K3, MAP3K1 ALDH1A1 2629/4885RECQL 1327/4885GAA 1697/4885
US-20170246310-A1 VAR2CSA-DRUG CONJUGATES VARS1, GUSB, VAV1 ALDH1A1 527/4885RECQL 4426/4885GAA 108/4885
US-20170079954-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS GRK3, DMPK, PRKAG3 ALDH1A1 1676/4885RECQL 1141/4885GAA 1521/4885
US-10675355-B2 VAR2CSA-drug conjugates VARS1, GUSB, VAV1 ALDH1A1 527/4885RECQL 4426/4885GAA 108/4885
US-20180117163-A9 VAR2CSA-DRUG CONJUGATES VARS1, GUSB, VAV1 ALDH1A1 527/4885RECQL 4426/4885GAA 108/4885
US-20130303492-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS MAP3K13, MAP3K3, MAP3K1 ALDH1A1 2629/4885RECQL 1327/4885GAA 1697/4885

“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.