SCHEMBL128388

SCHEMBL128388

CCOc1[c]ccc(OCC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.46
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
KMT2A Q03164 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 2/20 0.38
ESR2 Q92731 1/20 0.38
HPGD P15428 1/20 0.38
LTA4H P09960 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CYP1A2 P05177 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36

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
SCHEMBL9725912 0.89 NQO1 (0.40) NQO1TP53CYP3A4MEN1NPC1
SCHEMBL721489 0.88 NQO1 (0.43) NQO1TP53CYP3A4MEN1NPC1
SCHEMBL1569511 0.88 ESR1 (0.39) NQO1KMT2ATSHRMAPTALDH1A1
SCHEMBL20703535 0.87 NQO1 (0.43) NQO1TP53CYP3A4MEN1NPC1
SCHEMBL20703487 0.87 NQO1 (0.43) NQO1TP53CYP3A4MEN1NPC1
SCHEMBL20703590 0.86 MAPK1 (0.42) NQO1TP53CYP3A4MEN1NPC1
SCHEMBL15352587 0.83 NQO1 (0.39) NQO1TP53CYP3A4MEN1NPC1
SCHEMBL2772599 0.83 MAOB (0.49) CYP1A2LMNA
SCHEMBL17205004 0.83 PARP15 (0.37) NQO1TP53CYP3A4
SCHEMBL15352665 0.82 NQO1 (0.38) NQO1TP53CYP3A4MEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117164641-A Nickel complex for synthesizing polyketone resin, preparation method and application 大连理工大学 2023-12-05 CN claimed
US-20210138117-A1 COMPOUNDS AND MATRICES FOR USE IN BONE GROWTH AND REPAIR HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2021-05-13 US claimed
EP-3038621-B1 COMPOUNDS AND MATRICES FOR USE IN BONE GROWTH AND REPAIR HUMAN BIOMOLECULAR RES INSTITUTE (US) 2020-12-02 EP claimed
EP-3428202-A1 PROCESS OF PRODUCING POLYOLEFINS USING METALLOCENE POLYMERIZATION CATALYSTS AND COPOLYMERS THEREFROM ExxonMobil Chemical Patents Inc. (US) 2019-01-16 EP claimed
CN-105263969-B Using metallocene polymerization catalyst preparation polyolefin and the method for copolymer 埃克森美孚化学专利公司 2017-04-05 CN claimed
US-9611348-B2 Process of producing polyolefins using metallocene polymerization catalysts and copolymers therefrom EXXONMOBIL CHEMICAL PATENTS INC. (US) 2017-04-04 US claimed
EP-3049419-A1 NOVEL 20(S)-SULFONYLAMIDINE DERIVATIVES OF CAMPTOTHECIN AND THE USE THEREOF AS A POTENT ANTITUMOR AGENT China Medical University Hospital (TW) 2016-08-03 EP claimed
EP-3038621-A2 COMPOUNDS AND MATRICES FOR USE IN BONE GROWTH AND REPAIR Human Biomolecular Research Institute (US) 2016-07-06 EP claimed
EP-2984111-A1 PROCESS OF PRODUCING POLYOLEFINS USING METALLOCENE POLYMERIZATION CATALYSTS AND COPOLYMERS THEREFROM ExxonMobil Chemical Patents Inc. (US) 2016-02-17 EP claimed
US-20160038641-A1 COMPOUNDS AND MATRICES FOR USE IN BONE GROWTH AND REPAIR HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2016-02-11 US claimed
EP-1546163-A1 METHOD FOR THE PRODUCTION OF ACYLPHOSPHINE OXIDES BASF AKTIENGESELLSCHAFT (DE) 2005-06-29 EP claimed
WO-2004094439-A2 METHOD FOR THE PRODUCTION OF ACYLPHOSPHINES BASF AKTIENGESELLSCHAFT (DE) 2004-11-04 WO claimed
EP-1212331-B1 28-EPIRAPALOGS ARIAD GENE THERAPEUTICS INC (US) 2004-04-21 EP claimed
WO-2004029063-A1 METHOD FOR THE PRODUCTION OF ACYLPHOSPHINE OXIDES BASF AKTIENGESELLSCHAFT (DE) 2004-04-08 WO claimed
US-6649595-B2 FK506 binding proteins (FKBPs); rapamysin derivatives; multimerizing chimeric proteins in genetically engineered cells using said derivatives ARIAD GENE THERAPEUTICS, INC. 2003-11-18 US claimed
US-20020107189-A1 FK506 binding proteins (FKBPs); rapamysin derivatives; multimerizing chimeric proteins in genetically engineered cells using said derivatives ARIAD PHARMACEUTICALS, INC. 2002-08-08 US claimed
EP-1212331-A1 28-EPIRAPALOGS ARIAD GENE THERAPEUTICS, INC. (US) 2002-06-12 EP claimed
WO-2001014387-A1 28-EPIRAPALOGS ARIAD GENE THERAPEUTICS, INC. (US) 2001-03-01 WO claimed
US-6187757-B1 Regulation of biological events using novel compounds ARIAD PHARMACEUTICALS, INC. 2001-02-13 US claimed
US-6015907-A PHOTOSTABLE IMAGING DYES FOR ACID-MEDIATED MEDIA, ALSO FOR PHOTOSENSITIZING ONIUM SALTS TO VISIBLE BLUE RADIATION POLAROID CORPORATION (US) 2000-01-18 US 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 (3 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-20020107189-A1 FK506 binding proteins (FKBPs); rapamysin derivatives; multimerizing chimeric proteins in genetically engineered cells using said derivatives FKBP2, FKBP14, FKBP4 NQO1 4587/4885TP53 415/4885CYP3A4 2404/4885
US-20210138117-A1 COMPOUNDS AND MATRICES FOR USE IN BONE GROWTH AND REPAIR BMP2, BMP4, BMP6 NQO1 2074/4885TP53 3560/4885CYP3A4 4367/4885
US-20160038641-A1 COMPOUNDS AND MATRICES FOR USE IN BONE GROWTH AND REPAIR BMP2, BMP4, BMP6 NQO1 2892/4885TP53 3242/4885CYP3A4 4679/4885

“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.