SCHEMBL285513

SCHEMBL285513

CCOc1[c]ccc(OCC)c1OCC

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
ALDH1A1 P00352 7/20 0.36
KDM4E B2RXH2 7/20 0.36
NQO1 P15559 1/20 0.34
L3MBTL1 Q9Y468 5/20 0.33
HPGD P15428 3/20 0.33
MAPT P10636 3/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPK1 P28482 2/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 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
SCHEMBL9321984 0.84 ALDH1A1 (0.37) TSHRALDH1A1KDM4EL3MBTL1HPGD
SCHEMBL9672140 0.81 TSHR (0.41) TSHRALDH1A1KDM4EL3MBTL1HPGD
SCHEMBL9672147 0.81 PTPN1 (0.39) TSHRALDH1A1KDM4EL3MBTL1HPGD
SCHEMBL9671351 0.81 KDM4E (0.35) KDM4EL3MBTL1MEN1KMT2A
SCHEMBL10345470 0.81 NCOA1 (0.36) TSHRALDH1A1KDM4ENQO1MAPT
SCHEMBL4532108 0.80 ALDH1A1 (0.35) TSHRALDH1A1KDM4ENQO1L3MBTL1
SCHEMBL9674008 0.79 TYMS (0.38) TSHRALDH1A1KDM4EL3MBTL1HPGD
SCHEMBL9674003 0.79 TSHR (0.40) TSHRALDH1A1KDM4EL3MBTL1HPGD
SCHEMBL9672082 0.78 TSHR (0.37) TSHRALDH1A1KDM4ENQO1L3MBTL1
SCHEMBL10667354 0.78 L3MBTL1 (0.37) TSHRALDH1A1KDM4ENQO1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117831652-A Prediction method of olefin hydroformylation positive-to-negative ratio 上海华谊控股集团有限公司 2024-04-05 CN claimed
US-11155654-B2 Heterogenous precatalyst for preparation of highly crystalline, disentangled, ultra high molecular weight polyethylene (UHMWPE) and a process for preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2021-10-26 US 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
US-20200277415-A1 A HETROGENOUS PRECATALYST FOR PREPARATION OF HIGHLY CRYSTALLINE, DISENTANGLED, ULTRA HIGH MOLECULAR WEIGHT POLYETHYLENE (UHMWPE) AND A PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2020-09-03 US claimed
EP-3692080-A1 A HETROGENOUS PRECATALYST FOR PREPARATION OF HIGHLY CRYSTALLINE, DISENTANGLED, ULTRA HIGH MOLECULAR WEIGHT POLYETHYLENE (UHMWPE) AND A PROCESS FOR PREPARATION THEREOF Council of Scientific and Industrial Research (IN) 2020-08-12 EP claimed
WO-2019069328-A1 A HETROGENOUS PRECATALYST FOR PREPARATION OF HIGHLY CRYSTALLINE, DISENTANGLED, ULTRA HIGH MOLECULAR WEIGHT POLYETHYLENE (UHMWPE) AND A PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2019-04-11 WO claimed
US-9862691-B2 Cyclic triazo and diazo sodium channel blockers UNIVERSITY OF GREENWICH (GB) 2018-01-09 US claimed
US-20160311784-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS UNIVERSITY OF GREENWICH (GB) 2016-10-27 US 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-1212331-B1 28-EPIRAPALOGS ARIAD GENE THERAPEUTICS INC (US) 2004-04-21 EP 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
JP-2002508971-A 2002-03-26 JP 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
EP-1045915-A2 REGULATION OF BIOLOGICAL EVENTS USING MULTIMERIC CHIMERIC PROTEINS ARIAD GENE THERAPEUTICS, INC. (US) 2000-10-25 EP claimed
WO-1999036553-A2 REGULATION OF BIOLOGICAL EVENTS USING MULTIMERIC CHIMERIC PROTEINS ARIAD GENE THERAPEUTICS, INC. (US) 1999-07-22 WO claimed
WO-1998034112-A1 COMBINATORIAL LIBRARIES OF IMIDAZOL-PYRIDO-INDOLES AND IMIDAZOL-PYRIDO-BENZOTHIOPHENE DERIVATIVES TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO 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 TSHR 3821/4885ALDH1A1 4699/4885KDM4E 1883/4885
US-20210138117-A1 COMPOUNDS AND MATRICES FOR USE IN BONE GROWTH AND REPAIR BMP2, BMP4, BMP6 TSHR 2887/4885ALDH1A1 1413/4885KDM4E 3576/4885
US-20160311784-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS SCN1A, SCN1B, SCN3A TSHR 309/4885ALDH1A1 1729/4885KDM4E 4452/4885

“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.