SCHEMBL294484

SCHEMBL294484

CCOc1c[c]cc(OCC)c1OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
ALDH1A1 P00352 4/20 0.38
GAA P10253 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HSD17B10 Q99714 2/20 0.37
NQO1 P15559 1/20 0.36
LMNA P02545 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GLA P06280 1/20 0.35
KDM4E B2RXH2 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
AOC3 Q16853 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL7847660 0.86 HTR2A (0.48) TSHRHTR2AHTR2CHTR2BGAA
SCHEMBL10461617 0.82 PTGS2 (0.42) TSHRHTR2AHTR2CHTR2BGAA
SCHEMBL7834430 0.79 HTR1A (0.51) ALDH1A1GAASMN1; SMN2LMNAMEN1
SCHEMBL7836633 0.78 TSHR (0.36) TSHRALDH1A1GAAHSD17B10NQO1
SCHEMBL1299746 0.78 NCOA1 (0.46) TSHRALDH1A1SMN1; SMN2HSD17B10LMNA
SCHEMBL6627059 0.76 ALDH1A1 (0.37) TSHRALDH1A1GAASMN1; SMN2HSD17B10
SCHEMBL4729044 0.75 NQO1 (0.36) TSHRHTR2AHTR2CHTR2BALDH1A1
SCHEMBL1451009 0.75 CYP1A2 (0.42) TSHRALDH1A1SMN1; SMN2LMNAGLA
SCHEMBL11117185 0.73 L3MBTL1 (0.36) ALDH1A1LMNAMEN1KMT2APOLB
SCHEMBL455275 0.73 NQO1 (0.35) TSHRHTR2AHTR2CHTR2BNQO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-3038621-A2 COMPOUNDS AND MATRICES FOR USE IN BONE GROWTH AND REPAIR Human Biomolecular Research Institute (US) 2016-07-06 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
WO-2014146039-A2 COMPOUNDS AND MATRICES FOR USE IN BONE GROWTH AND REPAIR HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2014-09-18 WO claimed
US-7691843-B2 N-hydroxyamide derivatives possessing antibacterial activity PFIZER INC. (US) 2010-04-06 US claimed
US-20080058304-A1 N-hydroxyamide derivatives possessing antibacterial activity VICURON HOLDINGS LLC 2008-03-06 US claimed
EP-1576110-A4 CELL MIGRATION INHIBITING COMPOSITIONS AND METHODS AND COMPOSITIONS FOR TREATING CANCER AVOLIX PHARMACEUTICALS (US) 2007-11-07 EP claimed
EP-1218337-B1 SYNTHESIS OF 3,5,7|-1H-IMIDAZO 1,5-A|IMIDAZOL-2(3H)-ONE COMPOUNDS TORREY PINES INST (US) 2007-10-31 EP claimed
US-20060128742-A1 Cell migration inhibiting compositions and methods and compositions for treating cancer AVOLIX PHARMACEUTICALS, INC. 2006-06-15 US claimed
US-6162930-A Anti-mitotic agents which inhibit tubulin polymerization BAYLOR UNIVERSITY (US) 2000-12-19 US claimed
EP-0984954-A1 ANTI-MITOTIC AGENTS WHICH INHIBIT TUBULIN POLYMERIZATION BAYLOR UNIVERSITY (US) 2000-03-15 EP claimed
US-5886025-A METHOXY AND ETHOXY SUBSTITUTED 3-AROYL-2-ARYLBENZO(B)THIOPHENES AND BENZO(B)THIOPHENE ANALOGUES BAYLOR UNIVERSITY (US) 1999-03-23 US claimed
US-5856107-A Combinatorial libraries of imidazol-pyrido-indole and imidazol-pyrido-benzothiophene derivatives, methods of making the libraries and compounds therein TREGA BIOSCIENCES, INC. (US) 1999-01-05 US claimed
WO-1998039323-A1 ANTI-MITOTIC AGENTS WHICH INHIBIT TUBULIN POLYMERIZATION BAYLOR UNIVERSITY (US) 1998-09-11 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
US-5753663-A 5HT2C ANTAGONIST, USEFUL FOR TREATING ANXIETY, PAIN, OBSESSIVE COMPULSIVE DISORDER, ALCOHOLISM, DEPRESSION, MIGRAINE, SLEEP DISORDER, ANOREXIA NERVOSA AND PRIAPISM SYNTEX (U.S.A.) INC. (US) 1998-05-19 US claimed
WO-1994006797-A1 NOVEL BIOREDUCTIVE AGENTS BRITISH TECHNOLOGY GROUP LIMITED (GB) 1994-03-31 WO claimed
US-4863963-A 5-A-REDUCTASE INHIBITOR ONO PHARMACEUTICAL CO., LTD. (JP) 1989-09-05 US claimed
EP-0294937-A2 Novel cinnamoylamide derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1988-12-14 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 (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-20060128742-A1 Cell migration inhibiting compositions and methods and compositions for treating cancer MKI67, DCX, NUDC TSHR 4695/4885HTR2A 4786/4885HTR2C 4811/4885
US-20210138117-A1 COMPOUNDS AND MATRICES FOR USE IN BONE GROWTH AND REPAIR BMP2, BMP4, BMP6 TSHR 2887/4885HTR2A 4601/4885HTR2C 4810/4885
US-20160038641-A1 COMPOUNDS AND MATRICES FOR USE IN BONE GROWTH AND REPAIR BMP2, BMP4, BMP6 TSHR 3898/4885HTR2A 4684/4885HTR2C 4848/4885
US-20080058304-A1 N-hydroxyamide derivatives possessing antibacterial activity AMDHD2, OGA, ENGASE TSHR 3540/4885HTR2A 1093/4885HTR2C 1737/4885

“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.