SCHEMBL1006240

SCHEMBL1006240

CC(C)c1ccc(CC2CCc3[nH]c(C(=O)O)cc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 10/20 0.42
PTGS2 P35354 9/20 0.42
OPRK1 P41145 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
EIF4A3 P38919 2/20 0.41
ESR1 P03372 4/20 0.39
ESR2 Q92731 4/20 0.39
ALKBH5 Q6P6C2 1/20 0.36
CYP26A1 O43174 2/20 0.36
MT-CO1 P00395 1/20 0.36
MT-CO2 P00403 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
SCHEMBL1007332 0.87 PTGS1 (0.37) PTGS1PTGS2OPRK1HTTKMT2A
SCHEMBL1004540 0.86 ESR1 (0.41) KMT2AESR1ESR2CYP26A1
SCHEMBL1003853 0.85 DDB1 (0.44) ESR1ESR2CYP26A1
SCHEMBL12777445 0.85 DDB1 (0.44) ESR1ESR2CYP26A1
SCHEMBL1003668 0.84 ESR1 (0.38) ESR1ESR2CYP26A1
SCHEMBL1007006 0.84 ESR1 (0.38) KMT2AESR1ESR2CYP26A1
SCHEMBL1006534 0.83 CYP26A1 (0.46) PTGS1HTTKMT2AESR1ESR2
SCHEMBL1005295 0.82 PPARD (0.35) OPRK1HTTKMT2AESR1ESR2
SCHEMBL1006811 0.82 KDM4A (0.37) PTGS1PTGS2ESR1ESR2CYP26A1
SCHEMBL1007305 0.81 HSD17B10 (0.38) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902252-B2 Inhibitors of D-amino acid oxidase SEPRACOR, INC. (US) 2011-03-08 US disclosed
US-7902252-B2 Inhibitors of D-amino acid oxidase SEPRACOR, INC. (US) 2011-03-08 US disclosed
US-7902252-B2 Inhibitors of D-amino acid oxidase SEPRACOR, INC. (US) 2011-03-08 US disclosed
WO-2011011330-A2 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2011-01-27 WO disclosed
WO-2011011330-A2 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2011-01-27 WO disclosed
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-02-04 US disclosed
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-02-04 US disclosed
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-02-04 US disclosed
EP-2074092-A2 INHIBITORS OF D-AMINO ACID OXIDASE Sepracor Inc. (US) 2009-07-01 EP disclosed
US-20090099248-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2009-04-16 US disclosed
WO-2008089453-A2 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2008-07-24 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-20090099248-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE PTGS1 1591/4885PTGS2 2185/4885OPRK1 204/4885
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE PTGS1 1591/4885PTGS2 2185/4885OPRK1 204/4885

“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.