SCHEMBL12466541

SCHEMBL12466541

CCc1c(C(=O)O)oc2c(F)cc(F)cc12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.47
DHODH Q02127 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
EIF4A1 P60842 1/20 0.34
MCL1 Q07820 2/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 3/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 1/20 0.33
RIPK1 Q13546 1/20 0.33
RAB9A P51151 1/20 0.32
ESR1 P03372 2/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
GPR17 Q13304 1/20 0.31
ESR2 Q92731 1/20 0.31

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
SCHEMBL30933146 0.80 MCL1 (0.50) PTGDR2L3MBTL1MCL1ALDH1A1KDM4E
SCHEMBL4983010 0.79 CSNK2A2 (0.38) PTGDR2DHODHL3MBTL1MCL1ALDH1A1
SCHEMBL12466217 0.79 PTGDR2 (0.48) PTGDR2L3MBTL1MCL1KDM4EHPGD
SCHEMBL12466132 0.76 RAB9A (0.49) PTGDR2DHODHL3MBTL1MCL1ALDH1A1
SCHEMBL4990432 0.72 HTR1B (0.46) ALDH1A1KDM4EHPGD
SCHEMBL10008324 0.68 CES2 (0.44) DHODHALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3015790 0.68 CYP1A2 (0.48) L3MBTL1MCL1ALDH1A1KDM4EHPGD
SCHEMBL10557270 0.68 RAB9A (0.44) PTGDR2L3MBTL1MCL1KDM4EHPGD
SCHEMBL13700127 0.67 TEAD1 (0.40) PTGDR2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4250739 0.67 HSD17B10 (0.43) PTGDR2ALDH1A1KDM4EHPGDHSD17B10

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
CN-107011332-B Pyrazole compounds as CRTH2 antagonists GB007公司 2020-03-13 CN disclosed
EP-2668181-B1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-11-05 EP disclosed
US-8759386-B2 Pyrazole compounds as CRTH2 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-24 US disclosed
EP-2668181-A1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2013-12-04 EP disclosed
US-20130023576-A1 Pyrazole Compounds as CRTH2 Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-24 US disclosed
WO-2012101043-A1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-02 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-20130023576-A1 Pyrazole Compounds as CRTH2 Antagonists HRH2, HRH1, HRH4 PTGDR2 59/4885DHODH 1502/4885L3MBTL1 4475/4885

“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.