SCHEMBL126954

SCHEMBL126954

Cc1cccc(C(C)(C)C(=O)O)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.43
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
P2RX7 Q99572 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPC1 O15118 3/20 0.40
CCR1 P32246 1/20 0.40
CCR8 P51685 1/20 0.40
GBA1 P04062 1/20 0.40
GRM5 P41594 2/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
NOS3 P29474 1/20 0.38
NOS2 P35228 1/20 0.38
GLA P06280 1/20 0.38
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL18231460 0.83 KMT2A (0.46) RAB9AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL20910181 0.80 MEN1 (0.48) RAB9AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL126953 0.79 TSHR (0.33) KDM4EALDH1A1HSD17B10P2RX7KMT2A
SCHEMBL31216648 0.79 P2RX7 (0.47) P2RX7
SCHEMBL3509089 0.79 ALDH1A1 (0.37) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL4093369 0.79 CYP3A4 (0.57) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL23355691 0.77 NPSR1 (0.36) MEN1KMT2ACCR1OPRM1OPRD1
SCHEMBL898275 0.77 POLB (0.41) RAB9AKDM4EALDH1A1GLA
SCHEMBL19534745 0.76 ALDH1A1 (0.46) RAB9AKDM4EALDH1A1P2RX7MEN1
SCHEMBL129020 0.75 CCR1 (0.46) RAB9AKDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP disclosed
WO-2011095997-A1 BENZAMIDE COMPOUNDS AS GLUCOKINASE ACTIVATORS AND THEIR PHARMACEUTICAL APPLICATION ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2011-08-11 WO disclosed
CN-101374844-A Pyrrolopyridazinone compound UBE INDUSTRIES (JP) 2009-02-25 CN disclosed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US disclosed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 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 (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-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 RAB9A 2999/4885KDM4E 1902/4885ALDH1A1 580/4885

“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.