SCHEMBL3159487

SCHEMBL3159487

O=c1[nH]cc(C(c2ccccc2)c2ccccc2)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DAO P14920 3/20 0.38
AURKA O14965 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
CASP1 P29466 1/20 0.36
TTK P33981 1/20 0.36
AURKB Q96GD4 1/20 0.36
INCENP Q9NQS7 1/20 0.36
ROCK2 O75116 3/20 0.36
ROCK1 Q13464 3/20 0.36
PKN2 Q16513 3/20 0.36
CDC42 P60953 2/20 0.36
SLC6A2 P23975 6/20 0.35
SLC6A4 P31645 6/20 0.35
SLC6A3 Q01959 6/20 0.35
KCNH2 Q12809 4/20 0.35
CYP3A4 P08684 4/20 0.35
CYP2D6 P10635 4/20 0.35
PARP1 P09874 1/20 0.34

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
SCHEMBL11540707 0.80 DAO (0.39) DAOAURKAMAPTTHRBCASP1
SCHEMBL11542571 0.79 CNR1 (0.43)
SCHEMBL11537244 0.79 BRD4 (0.43) DAOAURKAMAPTTHRBCASP1
SCHEMBL11538902 0.78 ACP3 (0.39) DAOMAPTROCK2ROCK1PKN2
SCHEMBL20674963 0.73 MCL1 (0.40) DAOMAPT
SCHEMBL4562588 0.72 DAO (0.36) DAOAURKAMAPTTHRBCASP1
SCHEMBL11536497 0.70 CYP19A1 (0.40) DAO
SCHEMBL11535826 0.70 CNR1 (0.44)
SCHEMBL3165454 0.69 EPHX2 (0.43) MAPTTHRBSLC6A2SLC6A4SLC6A3
SCHEMBL11538049 0.69 CNR1 (0.43) DAO

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273745-B2 Polycyclic acid compounds useful as CRTH2 antagonists and antiallergic agents ASTELLAS PHARMA INC (JP) 2012-09-25 US disclosed
EP-2094662-B1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC (JP) 2012-04-11 EP disclosed
US-20100009991-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC. (JP) 2010-01-14 US 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-20100009991-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS HRH2, HRH1, HRH4 DAO 716/4885AURKA 4849/4885MAPT 2720/4885

“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.