SCHEMBL324810

SCHEMBL324810

COc1ccccc1OC(=O)N1C=Cc2ccccc2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 1/20 0.44
BCHE P06276 1/20 0.43
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.37
GABRA1 P14867 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.36
HDAC3 O15379 1/20 0.36
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B3 P37058 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA7 P43166 1/20 0.35

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
SCHEMBL323656 0.84 BCHE (0.43) BCHEALDH1A1MAPTPOLBHPGD
SCHEMBL324830 0.84 LIPE (0.44) LIPEBCHEALDH1A1MAPTHPGD
SCHEMBL3628702 0.83 P2RX4 (0.46) BCHEHDAC3SMN1; SMN2HSD17B3KMT2A
SCHEMBL325479 0.81 RECQL (0.41) ALDH1A1MAPTPOLBL3MBTL1SMN1; SMN2
SCHEMBL323741 0.81 GABRA1 (0.36) LIPEALDH1A1MAPTHPGDGABRA1
SCHEMBL324821 0.80 SMN1; SMN2 (0.55) LIPEBCHEALDH1A1TP53HDAC3
SCHEMBL324897 0.78 RXFP1 (0.42) ALDH1A1MAPTGABRA1GABRG2GABRB3
SCHEMBL15056964 0.77 HDAC3 (0.41) BCHEALDH1A1MAPTPOLBL3MBTL1
SCHEMBL29493251 0.77 HDAC3 (0.41) BCHEALDH1A1MAPTPOLBL3MBTL1
SCHEMBL8573553 0.76 HSD17B3 (0.39) ALDH1A1MAPTPOLBL3MBTL1TP53

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
EP-2590944-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd. (CH) 2013-05-15 EP disclosed
US-20130109685-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD. (CH) 2013-05-02 US disclosed
WO-2012004722-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2012-01-12 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-20130109685-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS PTGER1, PTGDR, PTGDR2 LIPE 1443/4885BCHE 4335/4885ALDH1A1 2057/4885

“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.