SCHEMBL5255682

SCHEMBL5255682

CCCCCc1ccc(CCC)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.67
ADRA2A P08913 2/20 0.67
ADORA3 P0DMS8 2/20 0.67
TACR2 P21452 2/20 0.67
SLC6A2 P23975 2/20 0.67
SLC6A4 P31645 2/20 0.67
SLC6A3 Q01959 2/20 0.67
ALDH1A1 P00352 2/20 0.67
HSD17B10 Q99714 2/20 0.67
KDM4E B2RXH2 1/20 0.67
LMNA P02545 1/20 0.67
SHBG P04278 1/20 0.67
TP53 P04637 1/20 0.67
CYP3A4 P08684 1/20 0.67
HSPD1 P10809 1/20 0.67
ADRB3 P13945 1/20 0.67
HTR2C P28335 1/20 0.67
HSPE1 P61604 1/20 0.67
HIF1A Q16665 1/20 0.67
TST Q16762 1/20 0.67

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
SCHEMBL5423819 0.97 ESR1 (0.71) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL6685475 0.97 ESR1 (0.71) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL6679954 0.97 ESR1 (0.71) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL10568240 0.94 ESR1 (0.73) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL181089 0.94 ESR1 (0.73) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL10567097 0.94 ESR1 (0.58) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL11561824 0.93 RARB (0.63) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL6680875 0.92 CA2 (0.60) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL23849704 0.92 ESR1 (0.77) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL2511615 0.92 ESR1 (0.77) ESR1ADRA2AADORA3TACR2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995023143-A1 INDOLE DERIVATIVES AS TESTOSTERONE-5-ALPHA-REDUCTASE INHIBITORS PFIZER LIMITED (GB) 1995-08-31 WO claimed
CN-108350254-B Thermoplastic resin composition and molded article thereof 帝人株式会社 2020-05-12 CN disclosed
EP-1361225-B1 COMPOUNDS SUBSTITUTED WITH BICYCLIC AMINO GROUPS SANKYO CO (JP) 2007-11-07 EP disclosed
US-7122666-B2 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-10-17 US disclosed
US-7091352-B2 Compounds substituted with bicyclic amino groups SANKYO COMPANY, LIMITED (JP) 2006-08-15 US disclosed
US-20060128756-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-06-15 US disclosed
EP-1377577-B1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES SANKYO CO (JP) 2006-06-14 EP disclosed
US-20050283006-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2005-12-22 US disclosed
EP-0985649-B1 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES (JP) 2004-11-24 EP disclosed
US-20040147525-A1 Compounds substituted with bicyclic amino groups SANKYO COMPANY, LIMITED (JP) 2004-07-29 US disclosed
EP-1352906-A1 COMPOSITIONS FOR PREVENTION OR TREATMENT OF HEPATOPATHY Sankyo Company, Limited (JP) 2003-10-15 EP disclosed
US-6462248-B1 THROUGH CONVERSION, ISOMERIZATION AND/OR ADSORPTIVE SEPARATION OF AROMATIC COMPOUNDS TORAY INDUSTRIES, INC. (JP) 2002-10-08 US disclosed
EP-1243589-A1 Heteroaryl-substituted pyrrole derivates, their preparation and their therapeutic uses Sankyo Company Limited (JP) 2002-09-25 EP disclosed
WO-2002057264-A1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES SANKYO COMPANY LIMITED (JP) 2002-07-25 WO disclosed
EP-1070711-A2 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses Sankyo Company Limited (JP) 2001-01-24 EP disclosed
EP-0985649-A2 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES, INC. (JP) 2000-03-15 EP disclosed
US-5792840-A SUBSTITUTED GLUCOPYRANOSYL PHOSPHATES SANKYO COMPANY, LIMITED (JP) 1998-08-11 US disclosed
EP-0437016-B1 Lipid A analogues having immunoactivating and anti-tumour activity SANKYO CO (JP) 1996-05-01 EP disclosed
WO-1995023143-A1 INDOLE DERIVATIVES AS TESTOSTERONE-5-ALPHA-REDUCTASE INHIBITORS PFIZER LIMITED (GB) 1995-08-31 WO disclosed
EP-0437016-A2 Lipid A analogues having immunoactivating and anti-tumour activity Sankyo Company Limited (JP) 1991-07-17 EP 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 (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-20060128756-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1A, IL1B ESR1 2504/4885ADRA2A 57/4885ADORA3 988/4885
US-20050283006-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, CNKSR1, IL1A ESR1 2383/4885ADRA2A 40/4885ADORA3 541/4885
US-20040147525-A1 Compounds substituted with bicyclic amino groups IL2, IL1B, IL4I1 ESR1 2040/4885ADRA2A 1072/4885ADORA3 336/4885

“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.