SCHEMBL1355002

SCHEMBL1355002

OCCCc1cccc(-c2cc(Br)ccc2OCc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.52
ALDH1A1 P00352 2/20 0.51
PTGER1 P34995 8/20 0.51
USP28 Q96RU2 1/20 0.49
USP25 Q9UHP3 1/20 0.49
HTT P42858 1/20 0.48
LTA4H P09960 1/20 0.47
EPHX2 P34913 1/20 0.47
PTGER4 P35408 3/20 0.46
PTGER3 P43115 3/20 0.46
PTGER2 P43116 3/20 0.46
CCR5 P51681 2/20 0.44
CYP2C9 P11712 1/20 0.44
C5AR1 P21730 1/20 0.44
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 1/20 0.43
MAOB P27338 1/20 0.43

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
SCHEMBL27794249 0.86 PTGER1 (0.59) PTGER1LTA4HEPHX2PTGER4PTGER3
SCHEMBL11297633 0.85 PTGDR2 (0.63) PTGDR2ALDH1A1PTGER1USP28USP25
SCHEMBL4837693 0.85 PTGDR2 (0.52) PTGDR2PTGER1LTA4HEPHX2PTGER4
SCHEMBL1783946 0.84 PTGER1 (0.61) PTGDR2PTGER1PTGER4PTGER3PTGER2
SCHEMBL27490007 0.82 CCR5 (0.45) PTGDR2ALDH1A1PTGER1PTGER4PTGER3
SCHEMBL11301144 0.81 PTGER1 (0.52) PTGDR2PTGER1PTGER4PTGER3PTGER2
SCHEMBL17049367 0.78 CCR5 (0.56) PTGDR2ALDH1A1PTGER1USP28USP25
SCHEMBL9221452 0.77 FFAR1 (0.48) PTGER1LTA4HEPHX2PTGER4PTGER3
SCHEMBL5690733 0.77 PTGER1 (0.53) PTGDR2ALDH1A1PTGER1USP28USP25
SCHEMBL2599525 0.77 PTGER1 (0.44) PTGDR2PTGER1PTGER4PTGER3PTGER2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012098560-A2 PROCESS FOR THE PREPARATION OF MUSCARINIC RECEPTOR ANTAGONIST MSN LABORATORIES LIMITED (IN) 2012-07-26 WO claimed
WO-2012098560-A2 PROCESS FOR THE PREPARATION OF MUSCARINIC RECEPTOR ANTAGONIST MSN LABORATORIES LIMITED (IN) 2012-07-26 WO disclosed
WO-2011141932-A2 PROCESS FOR PREPARATION OF PHENOLIC MONOESTERS OF HYDROXYMETHYL PHENOLS INTAS PHARMACEUTICALS LIMITED (IN) 2011-11-17 WO disclosed
US-20110282094-A1 PROCESS FOR PREPARATION OF PHENOLIC MONOESTERS OF HYDROXYMETHYL PHENOLS INTAS PHARMACEUTICALS LIMITED (IN) 2011-11-17 US disclosed
US-20110171274-A1 Fesoterodine Substantially Free of Dehydroxy Impurity ACTAVIS GROUP PTC EHF (IS) 2011-07-14 US disclosed
EP-2323967-A2 FESOTERODINE COMPRISING A REDUCED AMOUNT OF DEHYDROXYFESOTERODINE Actavis Group PTC EHF (IS) 2011-05-25 EP disclosed
WO-2010010464-A2 FESOTERODINE SUBSTANTIALLY FREE OF DEHYDROXY IMPURITY ACTAVIS GROUP PTC EHF (IS) 2010-01-28 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 (2 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-20110282094-A1 PROCESS FOR PREPARATION OF PHENOLIC MONOESTERS OF HYDROXYMETHYL PHENOLS HPD, COMT, PNMT PTGDR2 3404/4885ALDH1A1 257/4885PTGER1 2634/4885
US-20110171274-A1 Fesoterodine Substantially Free of Dehydroxy Impurity HSD17B7, CYP17A1, CYP21A2 PTGDR2 2787/4885ALDH1A1 609/4885PTGER1 4027/4885

“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.