SCHEMBL15544882

SCHEMBL15544882

CCOC(=O)COc1ccc(Cl)cc1C=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
USP2 O75604 1/20 0.52
GAA P10253 2/20 0.52
MEN1 O00255 3/20 0.51
HPGD P15428 3/20 0.51
KMT2A Q03164 3/20 0.51
KDM4E B2RXH2 2/20 0.51
CYP1A2 P05177 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
CYP2C19 P33261 1/20 0.51
CASP1 P29466 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MAPT P10636 3/20 0.50
TSHR P16473 1/20 0.50
CYP2C9 P11712 1/20 0.49
HIF1A Q16665 1/20 0.49
MAPK1 P28482 2/20 0.48
NPC1 O15118 1/20 0.48

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
SCHEMBL5848198 0.87 ALDH1A1 (0.53) ALDH1A1L3MBTL1TDP1USP2GAA
SCHEMBL17182533 0.87 USP2 (0.53) ALDH1A1USP2MEN1HPGDKMT2A
SCHEMBL692841 0.85 MAPT (0.67) ALDH1A1L3MBTL1TDP1MEN1KMT2A
SCHEMBL11785457 0.84 MAPK1 (0.56) ALDH1A1USP2MEN1HPGDKMT2A
SCHEMBL12607467 0.84 USP2 (0.51) ALDH1A1USP2MEN1HPGDKMT2A
SCHEMBL1991262 0.84 PTGDR2 (0.68) ALDH1A1L3MBTL1TDP1USP2MEN1
SCHEMBL1694924 0.84 TDP1 (0.74) ALDH1A1L3MBTL1TDP1GAAKDM4E
SCHEMBL5416139 0.84 CYP1A2 (0.68) ALDH1A1L3MBTL1TDP1GAAMEN1
SCHEMBL29369910 0.84 TDP1 (0.74) ALDH1A1L3MBTL1TDP1GAAKDM4E
SCHEMBL3643556 0.83 KDM4E (0.62) ALDH1A1TDP1USP2GAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9169270-B2 1-phenyl-substituted heterocyclyl derivatives and their use as prostaglandin D2 receptor modulators ACTELION PHARMACEUTICALS LTD. (CH) 2015-10-27 US disclosed
EP-2885307-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd. (CH) 2015-06-24 EP disclosed
US-20150158883-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICAL LTD. (CH) 2015-06-11 US disclosed
WO-2014006585-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2014-01-09 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-20150158883-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS PTGER1, PTGDR, PTGDR2 ALDH1A1 1392/4885L3MBTL1 4560/4885TDP1 3796/4885

“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.