SCHEMBL1005239

SCHEMBL1005239

O=C(O)c1cc2c([nH]1)/C(=C/Cc1ccccc1)CC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 5/20 0.36
HSD17B10 Q99714 5/20 0.36
HPGD P15428 4/20 0.36
KDM4E B2RXH2 4/20 0.36
DAO P14920 2/20 0.36
MAPT P10636 1/20 0.36
HCAR3 P49019 2/20 0.36
ALDH1A1 P00352 4/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 1/20 0.36
GAA P10253 2/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GLA P06280 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
AHR P35869 1/20 0.34

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
SCHEMBL1005240 1.00 SRD5A2 (0.36) SRD5A2HSD17B10HPGDKDM4EDAO
SCHEMBL2075620 0.86 DAO (0.40) SRD5A2HSD17B10HPGDKDM4EDAO
SCHEMBL2075619 0.86 DAO (0.40) SRD5A2HSD17B10HPGDKDM4EDAO
SCHEMBL1004098 0.78 CYP1A2 (0.46) SRD5A2HSD17B10HPGDKDM4EDAO
SCHEMBL1054865 0.78 CYP1A2 (0.46) SRD5A2HSD17B10HPGDKDM4EDAO
SCHEMBL1004097 0.78 CYP1A2 (0.46) SRD5A2HSD17B10HPGDKDM4EDAO
SCHEMBL1007318 0.72 SMN1; SMN2 (0.42) HSD17B10HPGDKDM4EMAPTALDH1A1
SCHEMBL30115707 0.71 SRD5A2 (0.51) SRD5A2HSD17B10HPGDKDM4EDAO
SCHEMBL2076156 0.67 ALDH1A1 (0.40) HPGDKDM4EMAPTALDH1A1CYP1A2
SCHEMBL2076152 0.67 ALDH1A1 (0.40) HPGDKDM4EMAPTALDH1A1CYP1A2

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-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
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 2338/4885HSD17B10 1605/4885HPGD 624/4885
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE SRD5A2 2338/4885HSD17B10 1605/4885HPGD 624/4885

“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.