SCHEMBL3596807

SCHEMBL3596807

CC(=Cc1ccccc1)CBr

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.54
TSHR P16473 2/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
USP2 O75604 1/20 0.46
ALOX15 P16050 1/20 0.46
RECQL P46063 1/20 0.46
HTT P42858 1/20 0.44
FBP1 P09467 2/20 0.44
GRIK1 P39086 1/20 0.44
GRIK2 Q13002 1/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KDM1A O60341 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL9597880 1.00 AKR1C3 (0.54) AKR1C3TSHRALDH1A1SMN1; SMN2USP2
SCHEMBL3596805 1.00 AKR1C3 (0.54) AKR1C3TSHRALDH1A1SMN1; SMN2USP2
SCHEMBL3595056 0.80 GSK3B (0.42) SMN1; SMN2RECQLNPC1RAB9AKMT2A
SCHEMBL3595054 0.80 GSK3B (0.42) SMN1; SMN2RECQLNPC1RAB9AKMT2A
SCHEMBL3604985 0.80 KMT2A (0.44) AKR1C3ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL3604983 0.80 KMT2A (0.44) AKR1C3ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL9810873 0.79 ALOX5 (0.49) AKR1C3ALDH1A1HTTMEN1KMT2A
SCHEMBL9810874 0.79 ALOX5 (0.49) AKR1C3ALDH1A1HTTMEN1KMT2A
SCHEMBL295402 0.79 TSHR (0.50) AKR1C3TSHRALDH1A1SMN1; SMN2USP2
SCHEMBL295401 0.79 TSHR (0.50) AKR1C3TSHRALDH1A1SMN1; SMN2USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1637527-B1 CANNABINOID RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL (JP) 2013-04-17 EP disclosed
US-20100240743-A1 CANNABINOID RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-23 US disclosed
US-7507841-B2 Carbamoylamino-substituted 2,3-dihydro-benzofurans, indoles and benzothiophenes, e.g., (+)-N-((3R)-3-(4-isopropylphenyl)-4,6,7-trimethyl-2,3-dihydro-1-benzofuran-5-yl)-3,3-dimethylbutanamide; cerebrovascular disorders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-24 US disclosed
US-7498344-B2 Arylpiperidinol and arylpiperidine derivatives and pharmaceuticals containing the same ASUBIO PHARMA CO., LTD. (JP) 2009-03-03 US disclosed
US-20090023800-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-01-22 US disclosed
EP-1323716-B1 PROMOTERS FOR THE PROLIFERATION AND DIFFERENTIATION OF STEM CELLS AND/OR NEURON PRECURSOR CELLS TAKEDA PHARMACEUTICAL (JP) 2009-01-14 EP disclosed
US-20090012081-A1 Agents for promoting the proliferation or differentiation of stem cells or neural progenitor cells TAKEDA PHARMACEUTICAL COMPANY LTD. (JP) 2009-01-08 US disclosed
US-7465815-B2 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-16 US disclosed
US-7456162-B2 Benzofuran derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-25 US disclosed
US-20080021087-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED 2008-01-24 US disclosed
US-6455549-B1 ANTIEPILEPTIC, ANTIISCHEMIC, AND ANTIMIGRAINE AGENTS; CALCIUM OVELOAD SUPPRESSANTS SUNTORY LIMITED (JP) 2002-09-24 US disclosed
EP-1136477-A1 BENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2001-09-26 EP disclosed
US-6048876-A ANTICONVULSANTS; ANTIEPILEPIC AGENT SUNTORY LIMITED (JP) 2000-04-11 US disclosed
EP-0867183-A1 ARYLPIPERIDINOL AND ARYLPIPERIDINE DERIVATIVES AND DRUGS CONTAINING THE SAME SUNTORY LIMITED (JP) 1998-09-30 EP disclosed
EP-0755923-A1 AMELIORANT OR REMEDY FOR SYMPTOMS CAUSED BY ISCHEMIC DISEASES AND COMPOUNDS USEFUL THEREFOR SUNTORY LIMITED (JP) 1997-01-29 EP disclosed
US-5196422-A Antiinflammatory agents, antiallergens ICI PHARMA (FR) 1993-03-23 US disclosed
US-5089513-A Antiinflammatory agents; antiallergens; asthma; side effect reduction ICI PHARMA (FR) 1992-02-18 US disclosed
EP-0351194-A2 Thiazole derivatives having a 5-lipoxygenase-inhibiting activity IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-01-17 EP disclosed
EP-0025599-B1 BENZOPYRAN COMPOUNDS, USEFUL AS CHEMOTHERAPEUTIC AGENTS THE WELLCOME FOUNDATION LIMITED (GB) 1984-12-19 EP disclosed
US-4452991-A OR BENZO(B)INDENO (2,1-E) PYRANS OR BENZO(C)XANTHENES BATCHELOR JOHN F (GB) 1984-06-05 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 (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-20090012081-A1 Agents for promoting the proliferation or differentiation of stem cells or neural progenitor cells NES, MKI67, CCNO AKR1C3 399/4885TSHR 1762/4885ALDH1A1 359/4885
US-20100240743-A1 CANNABINOID RECEPTOR MODULATOR CNR1, CNR2, GPR18 AKR1C3 738/4885TSHR 511/4885ALDH1A1 1463/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 AKR1C3 738/4885TSHR 511/4885ALDH1A1 1463/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 AKR1C3 738/4885TSHR 511/4885ALDH1A1 1463/4885

“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.