SCHEMBL3327344

SCHEMBL3327344

COc1ccc(OC)c(OC(C)=O)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.63
CA1 P00915 1/20 0.63
CA2 P00918 1/20 0.63
CA7 P43166 1/20 0.63
CA9 Q16790 1/20 0.63
CA14 Q9ULX7 1/20 0.63
BACE1 P56817 1/20 0.59
TNFSF11 O14788 1/20 0.56
ALDH1A1 P00352 3/20 0.56
GAA P10253 2/20 0.56
MAPT P10636 1/20 0.56
HTT P42858 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
TSHR P16473 2/20 0.54
NPC1 O15118 1/20 0.54
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
KDM4E B2RXH2 2/20 0.51
TUBB4A P04350 1/20 0.51
TUBB P07437 1/20 0.51

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
SCHEMBL11793587 0.94 BACE1 (0.61) CA12CA1CA2CA7CA9
SCHEMBL3328971 0.92 TSHR (0.64) CA12CA1CA2CA7CA9
SCHEMBL9509196 0.91 TNFSF11 (0.55) CA12CA1CA2CA7CA9
SCHEMBL153056 0.86 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL2729632 0.85 TSHR (0.64) CA12CA1CA2CA7CA9
SCHEMBL27993733 0.84 TNFSF11 (0.49) CA12CA1CA2CA7CA9
SCHEMBL28471951 0.83 TNFSF11 (0.47) CA12CA1CA2CA7CA9
SCHEMBL9958314 0.83 TNFSF11 (0.47) CA12CA1CA2CA7CA9
SCHEMBL9957646 0.83 BACE1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL9280624 0.83 BACE1 (0.57) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105164586-B Composition for forming resist protective film for lithography and method for forming pattern of semiconductor element using same 株式会社东进世美肯 2020-03-06 CN disclosed
EP-2148865-B1 PYRAZOLE INHIBITORS OF WNT SIGNALING GENENTECH INC (US) 2017-05-17 EP disclosed
CN-103221437-B Polymer compound and resist protective film composition for liquid immersion exposure process containing same DONGJIN SEMICHEM CO.,LTD. (KR) 2016-02-17 CN disclosed
CN-105164586-A Composition for forming resist protective film for lithography and method for forming pattern of semiconductor element using same DONGJIN SEMICHEM CO LTD 2015-12-16 CN disclosed
EP-2061453-B1 2,5-DIHYDROXYBENZENE COMPOUNDS FOR TREATING CANCERS AND HEMATOLOGICAL DYSCRASIAS ACTION MEDICINES SL (ES) 2013-03-13 EP disclosed
EP-1899296-B1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2010-11-17 EP disclosed
US-7812040-B2 such as 3-(3-Acetyl-phenyl)-1-[3-(3-chloro-4-pyrrolidin-1-ylmethyl-phenoxy)-cyclobutylmethyl]-1-methyl-urea, used for the treatment of , schizophrenia, Alzheimer's disease, attention-deficit hyperactivity disorder, hypotension, allergies, cardiovascular, gastrointestinal and psychological disorders PFIZER INC. (US) 2010-10-12 US disclosed
US-20100137394-A1 PYRAZOLE INHIBITORS OF WNT SIGNALING GRENENTECH, INC. (US) 2010-06-03 US disclosed
EP-2148865-A1 PYRAZOLE INHIBITORS OF WNT SIGNALING Genentech, Inc. (US) 2010-02-03 EP disclosed
US-20090131433-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER INC. (US) 2009-05-21 US disclosed
WO-2008137408-A1 PYRAZOLE INHIBITORS OF WNT SIGNALING GENENTECH, INC. (US) 2008-11-13 WO disclosed
WO-2008123821-A1 4, 5-DIHYDRO-LH-IMIDAZOL-2-AMINE DERIVATIVES FOR USE IN THE TREATMENT OF RESPIRATORY, CARDIOVASCULAR, NEUROLOGICAL OR GASTROINTESTINAL DISORDERS ALBIREO AB (SE) 2008-10-16 WO disclosed
EP-1899296-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2008-03-19 EP disclosed
WO-2006136924-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2006-12-28 WO disclosed
CN-1724532-A Colorant compound XEROX CORP (US) 2006-01-25 CN disclosed
US-6077653-A MIXTURE CONTAINING DEVELOPER EASTMAN KODAK COMPANY (US) 2000-06-20 US disclosed
WO-1999014216-A1 SUBSTITUTED 3(-1,2-BENZISOTHIAZOL OR ISOXAZOL-5 YL)-SUBSTITUTED PYRIMIDINE AS HERBICIDES AMERICAN CYANAMID COMPANY (US) 1999-03-25 WO disclosed
WO-1994007863-A1 OCTAHYDRONAPHTHOQUINOLIZINES, AND METHODS OF MAKING AND USING THEREOF NEW YORK UNIVERSITY (US) 1994-04-14 WO 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-20090131433-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS HRH3, HRH4, HRH2 CA12 3939/4885CA1 2760/4885CA2 2205/4885
US-20100137394-A1 PYRAZOLE INHIBITORS OF WNT SIGNALING WNT1, WNT3A, CTNNB1 CA12 4866/4885CA1 4784/4885CA2 4729/4885

“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.