SCHEMBL12844477

SCHEMBL12844477

O=C(O)c1cc2c([nH]1)CC(OCc1ccccc1)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 4/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 3/20 0.46
HPGD P15428 3/20 0.46
HSD17B10 Q99714 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 1/20 0.46
GRIN2D O15399 2/20 0.43
GRIN3B O60391 2/20 0.43
GRIN1 Q05586 2/20 0.43
GRIN2A Q12879 2/20 0.43
GRIN2B Q13224 2/20 0.43
GRIN2C Q14957 2/20 0.43
GRIN3A Q8TCU5 2/20 0.43
SRD5A1 P18405 1/20 0.43
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 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
SCHEMBL12777481 1.00 SRD5A2 (0.46) SRD5A2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL12777482 0.80 ALOX15 (0.34) SRD5A2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8168405 0.80 ALOX15 (0.34) SRD5A2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL12777442 0.76 CYP19A1 (0.41) SRD5A2KDM4EHPGDHSD17B10GRIN2D
SCHEMBL1006392 0.76 CYP19A1 (0.41) SRD5A2KDM4EHPGDHSD17B10GRIN2D
SCHEMBL8163965 0.76 CYSLTR1 (0.33)
SCHEMBL12777469 0.75 KDM4E (0.37) SRD5A2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8162454 0.75 KDM4E (0.37) SRD5A2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL12777446 0.74 DAO (0.41) SRD5A2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8162461 0.74 DAO (0.41) SRD5A2ALDH1A1KDM4EHPGDHSD17B10

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
US-7902252-B2 Inhibitors of D-amino acid oxidase SEPRACOR, INC. (US) 2011-03-08 US disclosed
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-02-04 US disclosed
US-20090099248-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2009-04-16 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 (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 SRD5A2 2338/4885ALDH1A1 465/4885KDM4E 1859/4885
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE SRD5A2 2338/4885ALDH1A1 465/4885KDM4E 1859/4885

“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.