SCHEMBL2176865

SCHEMBL2176865

Cn1ccc2ccc(OCc3ccccc3)cc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.58
HTR7 P34969 1/20 0.57
MEN1 O00255 3/20 0.56
NPC1 O15118 3/20 0.56
KMT2A Q03164 3/20 0.56
RAB9A P51151 2/20 0.56
SRD5A2 P31213 1/20 0.51
HRH3 Q9Y5N1 1/20 0.50
CYP3A4 P08684 1/20 0.49
MAOB P27338 3/20 0.47
CCNE2 O96020 1/20 0.47
CDK4 P11802 1/20 0.47
PRKACA P17612 1/20 0.47
PRKACG P22612 1/20 0.47
PRKACB P22694 1/20 0.47
CCND1 P24385 1/20 0.47
CCNE1 P24864 1/20 0.47
CDK2 P24941 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47

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
SCHEMBL1400791 0.88 NPC1 (0.63) ALOX5HTR7MEN1NPC1KMT2A
SCHEMBL19172461 0.83 HTR7 (0.65) ALOX5HTR7MEN1NPC1KMT2A
SCHEMBL5659709 0.81 ALOX5 (0.57) ALOX5HTR7MEN1NPC1KMT2A
SCHEMBL13957122 0.80 MEN1 (0.51) ALOX5MEN1NPC1KMT2ARAB9A
SCHEMBL23927885 0.80 HTR2A (0.66) ALOX5HTR7MEN1NPC1KMT2A
SCHEMBL28500192 0.79 MEN1 (0.57) ALOX5HTR7MEN1NPC1KMT2A
SCHEMBL30507422 0.79 MEN1 (0.57) ALOX5HTR7MEN1NPC1KMT2A
SCHEMBL21274686 0.78 ALOX5 (0.54) ALOX5HTR7MEN1NPC1KMT2A
SCHEMBL6089075 0.77 HTR7 (0.55) ALOX5HTR7MEN1NPC1KMT2A
SCHEMBL6089283 0.77 HTR7 (0.55) ALOX5HTR7MEN1NPC1KMT2A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934307-A1 SUBSTITUTED AZABICYLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF THE PRODUCTION OF TNF AND CYCLIC AMP PHOSPHODIESTERASE RHONE-POULENC RORER LIMITED (GB) 1999-08-11 EP claimed
WO-1997048697-A1 SUBSTITUTED AZABICYLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF THE PRODUCTION OF TNF AND CYCLIC AMP PHOSPHODIESTERASE RHONE-POULENC RORER LIMITED (GB) 1997-12-24 WO claimed
US-7973051-B2 Aminothiazoles as FBPase inhibitors for diabetes HOFFMAN-LA ROCHE INC. (US) 2011-07-05 US disclosed
CN-101878211-A Aminothiazole derivs HOFFMANN LA ROCHE 2010-11-03 CN disclosed
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
US-20090143448-A1 NEW AMINOTHIAZOLES AS FBPASE INHIBITORS FOR DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-04 US disclosed
CN-101321726-A Novel fused pyrrole derivative DAINIPPON SUMITOMO PHARMA CO (JP) 2008-12-10 CN disclosed
EP-1930320-A1 NOVEL FUSED PYRROLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-06-11 EP disclosed
US-5279620-A Containg paraphenylenediamine, para-aminophenol and paraheterocyclic precursors L'OREAL (FR) 1994-01-18 US disclosed
US-5034015-A Fade resistant hair dyes with better coloring ability L'OREAL (FR) 1991-07-23 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 (2 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-20090143448-A1 NEW AMINOTHIAZOLES AS FBPASE INHIBITORS FOR DIABETES FBP1, SLC5A1, DPP4 ALOX5 4469/4885HTR7 4179/4885MEN1 1402/4885
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE NR3C1, NR3C2, NR0B1 ALOX5 1022/4885HTR7 1089/4885MEN1 3628/4885

“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.