SCHEMBL508773

SCHEMBL508773

OCc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.55
HTR2A P28223 1/20 0.55
KCNH2 Q12809 1/20 0.55
SIGMAR1 Q99720 1/20 0.55
S1PR5 Q9H228 1/20 0.55
IDO1 P14902 2/20 0.52
MAOB P27338 6/20 0.51
FFAR1 O14842 3/20 0.51
MAOA P21397 2/20 0.51
PTPN1 P18031 2/20 0.50
MRGPRX4 Q96LA9 1/20 0.50
CYP2D6 P10635 2/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP2C19 P33261 1/20 0.49
PTGDR2 Q9Y5Y4 1/20 0.47

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
SCHEMBL11118881 0.85 MRGPRX4 (0.59) S1PR1HTR2AKCNH2SIGMAR1S1PR5
SCHEMBL5512534 0.84 IDO1 (0.53) S1PR1HTR2AKCNH2SIGMAR1S1PR5
SCHEMBL508222 0.82 IDO1 (0.52) S1PR1HTR2AKCNH2SIGMAR1S1PR5
SCHEMBL6745212 0.82 IDO1 (0.52) S1PR1HTR2AKCNH2SIGMAR1S1PR5
SCHEMBL1508212 0.82 APP (0.56) S1PR1HTR2AKCNH2SIGMAR1S1PR5
SCHEMBL11089926 0.82 IDO1 (0.56) S1PR1HTR2AKCNH2SIGMAR1S1PR5
SCHEMBL12584867 0.82 MAOB (0.54) S1PR1HTR2AKCNH2SIGMAR1S1PR5
SCHEMBL4796227 0.81 NPC1 (0.60) S1PR1HTR2AKCNH2SIGMAR1S1PR5
SCHEMBL2558947 0.81 S1PR1 (0.51) S1PR1HTR2AKCNH2SIGMAR1S1PR5
SCHEMBL539273 0.81 FFAR1 (0.54) S1PR1HTR2AKCNH2SIGMAR1S1PR5

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
EP-2528901-B9 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2017-01-25 EP disclosed
EP-2528901-B1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2015-05-27 EP disclosed
US-8791272-B2 Pyrazole compounds as CRTH2 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-29 US disclosed
EP-2528901-A1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-12-05 EP disclosed
US-20120028938-A1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 US disclosed
WO-2011092140-A1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 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-20120028938-A1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS HRH2, HRH1, HRH3 S1PR1 1428/4885HTR2A 630/4885KCNH2 773/4885

“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.