SCHEMBL3707828

SCHEMBL3707828

Cc1noc(-c2ccc3cc(Br)ccc3c2)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
RXFP1 Q9HBX9 2/20 0.43
PRNP P04156 1/20 0.43
PPARG P37231 1/20 0.43
NR2E3 Q9Y5X4 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
ALDH1A1 P00352 3/20 0.43
HTT P42858 1/20 0.43
PTPN1 P18031 1/20 0.41
AURKA O14965 2/20 0.40
AURKB Q96GD4 2/20 0.40
KDR P35968 1/20 0.40
ANO1 Q5XXA6 1/20 0.38
DHODH Q02127 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL3703021 0.86 HTT (0.52) POLBMAPTALDH1A1HTTMEN1
SCHEMBL1563 0.86 PTPN1 (0.47) POLBMAPTMAPK1RXFP1PRNP
SCHEMBL3711076 0.83 PRNP (0.45) POLBMAPTMAPK1RXFP1PRNP
SCHEMBL2294680 0.81 MEN1 (0.43) POLBMAPTMAPK1ALDH1A1HTT
SCHEMBL2291942 0.78 FTO (0.42) POLBMAPTALDH1A1PTPN1MEN1
SCHEMBL2288148 0.78 HTT (0.43) POLBALDH1A1HTTPTPN1MEN1
SCHEMBL15280716 0.76 RAB9A (0.52) POLBMAPTMAPK1ALDH1A1HTT
SCHEMBL2289885 0.76 SMURF2 (0.44) POLBMAPTMAPK1RXFP1PRNP
SCHEMBL14789796 0.75 RAB9A (0.51) POLBMAPTMAPK1ALDH1A1HTT
SCHEMBL22467553 0.75 ALDH1A1 (0.46) POLBMAPTALDH1A1HTTPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110301142-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. 2011-12-08 US disclosed
US-20110301142-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. 2011-12-08 US disclosed
US-20110301142-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. 2011-12-08 US disclosed
WO-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed
WO-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 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-20110301142-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 POLB 4087/4885MAPT 4253/4885MAPK1 1996/4885

“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.