SCHEMBL12466305

SCHEMBL12466305

CCCCn1c(C(=O)O)cc2cc(F)ccc21

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
KDM4E B2RXH2 2/20 0.62
HPGD P15428 1/20 0.62
HSD17B10 Q99714 1/20 0.62
CCR2 P41597 3/20 0.55
PTGDR2 Q9Y5Y4 2/20 0.48
PLA2G4A P47712 4/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MCL1 Q07820 2/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
GPR35 Q9HC97 1/20 0.44
AGTR1 P30556 2/20 0.44
AGTR2 P50052 2/20 0.44

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 0.92 ALDH1A1 (0.66) ALDH1A1KDM4EHPGDHSD17B10CCR2
SCHEMBL7378692 0.85 ALDH1A1 (0.65) ALDH1A1KDM4EHPGDHSD17B10CCR2
SCHEMBL4370468 0.84 ALDH1A1 (0.50) ALDH1A1KDM4EHSD17B10CCR2PLA2G4A
SCHEMBL23053024 0.83 CCR2 (0.55) ALDH1A1KDM4EHPGDHSD17B10CCR2
SCHEMBL4372812 0.83 CCR2 (0.60) CCR2PLA2G4AMCL1
SCHEMBL21647634 0.82 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDHSD17B10CCR2
SCHEMBL10757133 0.81 ALDH1A1 (0.66) ALDH1A1KDM4ECCR2PLA2G4AMCL1
SCHEMBL4365830 0.81 KDM4E (0.64) ALDH1A1KDM4EHPGDHSD17B10CCR2
SCHEMBL13802523 0.81 CCR2 (0.62) ALDH1A1KDM4EHPGDHSD17B10CCR2
SCHEMBL4363318 0.81 PLA2G4A (0.52) ALDH1A1KDM4ECCR2PLA2G4AMEN1

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 7 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
CN-103339125-A Pyrazole compounds as CRTH2 antagonists BOEHRINGER INGELHEIM INT 2013-10-02 CN 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 ALDH1A1 1810/4885KDM4E 4325/4885HPGD 1140/4885

“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.