SCHEMBL12466547

SCHEMBL12466547

CCCn1c(C(=O)O)cc2cc(F)ccc21

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.66
HPGD P15428 3/20 0.66
KDM4E B2RXH2 2/20 0.66
HSD17B10 Q99714 1/20 0.66
CCR2 P41597 7/20 0.57
PLA2G4A P47712 2/20 0.50
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
GPR35 Q9HC97 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.43
TP53 P04637 1/20 0.43
MCL1 Q07820 1/20 0.43
IDO1 P14902 1/20 0.43

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
SCHEMBL12466305 0.92 ALDH1A1 (0.62) ALDH1A1HPGDKDM4EHSD17B10CCR2
SCHEMBL12466580 0.88 CCR2 (0.57) ALDH1A1HPGDKDM4EHSD17B10CCR2
SCHEMBL7378692 0.88 ALDH1A1 (0.65) ALDH1A1HPGDKDM4EHSD17B10CCR2
SCHEMBL21647634 0.85 ALDH1A1 (0.61) ALDH1A1HPGDKDM4EHSD17B10CCR2
SCHEMBL5889499 0.84 ALDH1A1 (0.56) ALDH1A1HPGDKDM4EHSD17B10CCR2
SCHEMBL13802535 0.84 PLA2G4A (0.51) ALDH1A1HPGDKDM4EHSD17B10CCR2
SCHEMBL13802523 0.83 CCR2 (0.62) ALDH1A1HPGDKDM4EHSD17B10CCR2
SCHEMBL8687383 0.82 CCR2 (0.62) CCR2PLA2G4A
Ether SCHEMBL12466642 0.82 KDM4E (0.57) ALDH1A1HPGDKDM4EHSD17B10CCR2
SCHEMBL700800 0.80 ALDH1A1 (0.69) ALDH1A1HPGDKDM4ECCR2PLA2G4A

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 ALDH1A1 1810/4885HPGD 1140/4885KDM4E 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.