SCHEMBL1007279

SCHEMBL1007279

COc1ccc(CC2CCc3[nH]c(C(=O)O)cc32)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.48
CA2 P00918 6/20 0.48
CA9 Q16790 6/20 0.48
CA12 O43570 4/20 0.48
LDHA P00338 1/20 0.42
KDM4E B2RXH2 4/20 0.41
HPGD P15428 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RAD52 P43351 1/20 0.39

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
SCHEMBL1003747 0.90 CA1 (0.44) CA1CA2CA9CA12KDM4E
SCHEMBL1004266 0.84 MMP1 (0.43) MEN1KMT2A
SCHEMBL1003853 0.81 DDB1 (0.44) KDM4EHPGDALDH1A1MAPT
SCHEMBL12777445 0.81 DDB1 (0.44) KDM4EHPGDALDH1A1MAPT
SCHEMBL1004613 0.81 KDM5A (0.37) ALDH1A1
SCHEMBL1006811 0.81 KDM4A (0.37)
SCHEMBL1007006 0.81 ESR1 (0.38) KDM4EHPGDALDH1A1MEN1KMT2A
SCHEMBL1003668 0.81 ESR1 (0.38)
SCHEMBL1004540 0.81 ESR1 (0.41) KDM4EHPGDMEN1KMT2A
SCHEMBL1006240 0.80 PTGS1 (0.42) 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 8 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

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-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE CA1 475/4885CA2 1882/4885CA9 3496/4885

“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.