SCHEMBL12466580

SCHEMBL12466580

CCCn1c(C(=O)O)cc2ccc(F)cc21

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 5/20 0.57
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 2/20 0.54
HPGD P15428 2/20 0.54
HSD17B10 Q99714 1/20 0.54
PTGDR2 Q9Y5Y4 2/20 0.48
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
GPR35 Q9HC97 1/20 0.47
MAPT P10636 1/20 0.43
MCL1 Q07820 2/20 0.43
PLA2G4A P47712 1/20 0.42
CCR9 P51686 4/20 0.42
AGTR1 P30556 1/20 0.40
AGTR2 P50052 1/20 0.40

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
SCHEMBL12466547 0.88 ALDH1A1 (0.66) CCR2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL12466324 0.88 GPR35 (0.60) CCR2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL21647590 0.85 CCR2 (0.54) CCR2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL23877933 0.81 CCR2 (0.56) CCR2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL700800 0.80 ALDH1A1 (0.69) CCR2ALDH1A1KDM4EHPGDCYP1A2
SCHEMBL12466305 0.80 ALDH1A1 (0.62) CCR2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL12352768 0.80 CCR2 (0.61) CCR2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5744064 0.80 HSD17B10 (0.76) CCR2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL29897910 0.80 HSD17B10 (0.76) CCR2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL21647455 0.79 CCR2 (0.47) CCR2ALDH1A1KDM4EHPGDHSD17B10

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 CCR2 2460/4885ALDH1A1 1810/4885KDM4E 4325/4885

“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.