SCHEMBL1108312

SCHEMBL1108312

CNc1ccc(C(C)=O)cc1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.65
PKM P14618 1/20 0.47
AKR1C3 P42330 9/20 0.45
AKR1C2 P52895 9/20 0.45
KDM5A P29375 1/20 0.44
NPC1 O15118 2/20 0.44
MAPT P10636 2/20 0.44
RAB9A P51151 2/20 0.44
POLB P06746 2/20 0.44
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
XDH P47989 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
HCAR3 P49019 1/20 0.41
HSD17B1 P14061 1/20 0.41

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
SCHEMBL14088932 0.84 KDM5A (0.62) PRKCIKDM5ANPC1MAPTPOLB
SCHEMBL1545415 0.84 PRKCI (0.59) PRKCIPKMAKR1C3AKR1C2KDM5A
SCHEMBL20630760 0.83 PRKCI (0.69) PRKCIPKMAKR1C3AKR1C2NPC1
SCHEMBL3715569 0.82 POLB (0.67) PRKCIPKMAKR1C3AKR1C2KDM5A
SCHEMBL13847151 0.81 CA1 (0.67) MAPTPOLBHTTKMT2ACA12
SCHEMBL19405908 0.81 NPC1 (0.50) PRKCIPKMAKR1C3AKR1C2KDM5A
SCHEMBL15075228 0.80 PRKCI (0.65) PRKCIAKR1C3AKR1C2NPC1MAPT
SCHEMBL28385567 0.80 PRKCI (0.65) PRKCIAKR1C3AKR1C2
SCHEMBL10030689 0.79 MAPT (0.57) PRKCINPC1MAPTRAB9APOLB
SCHEMBL912924 0.78 PRKCI (0.62) PRKCIPKMAKR1C3AKR1C2NPC1

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
US-8426504-B2 Hardenable epoxy resin composition ADEKA CORPORATION (JP) 2013-04-23 US disclosed
US-8426598-B2 N-heterocyclic M1 receptor positive allosteric modulators Merck, Sharp & Dohme, Corp. (US) 2013-04-23 US disclosed
US-8426598-B2 N-heterocyclic M1 receptor positive allosteric modulators Merck, Sharp & Dohme, Corp. (US) 2013-04-23 US disclosed
US-8153260-B2 Composite material ADEKA CORPORATION (JP) 2012-04-10 US disclosed
US-20110136863-A1 N-Heterocyclic M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME LLC 2011-06-09 US disclosed
US-20110136863-A1 N-Heterocyclic M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME LLC 2011-06-09 US disclosed
US-20100190899-A1 HARDENABLE EPOXY RESIN COMPOSITION ADEKA CORPORATION (JP) 2010-07-29 US disclosed
US-20100112323-A1 COMPOSITE MATERIAL ADEKA CORPORATION (JP) 2010-05-06 US disclosed
EP-0989986-A1 5,7-DISUBSTITUTED 4-AMINOPYRIDO 2,3-D]PYRIMIDINE COMPOUNDS AND THEIR USE AS ADENOSINE KINASE INHIBITORS Abbott Laboratories (US) 2000-04-05 EP disclosed
WO-1998046605-A1 5,7-DISUBSTITUTED 4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS AND THEIR USE AS ADENOSINE KINASE INHIBITORS ABBOTT LABORATORIES (US) 1998-10-22 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 (1 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-20110136863-A1 N-Heterocyclic M1 Receptor Positive Allosteric Modulators CHRM1, OPRL1, OPRM1 PRKCI 2031/4885PKM 2939/4885AKR1C3 1699/4885

“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.