SCHEMBL1056787

SCHEMBL1056787

CC(C)(CC1CCc2[nH]c(C(=O)O)cc21)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPT P10636 1/20 0.33
DAO P14920 1/20 0.33
SRD5A2 P31213 1/20 0.33
SSTR4 P31391 1/20 0.32
CHRM3 P20309 8/20 0.32
CYP2C19 P33261 3/20 0.31
AKR1C3 P42330 1/20 0.31
HIF1A Q16665 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
MEN1 O00255 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL1005034 0.89 XDH (0.35) SSTR4CHRM3MEN1ALDH1A1CYP1A2
SCHEMBL2074449 0.79 ALOX15 (0.33) ALDH1A1
SCHEMBL1003853 0.78 DDB1 (0.44) KDM4EHPGDHSD17B10MAPTDAO
SCHEMBL12777445 0.78 DDB1 (0.44) KDM4EHPGDHSD17B10MAPTDAO
SCHEMBL12777375 0.77 SMN1; SMN2 (0.35) KDM4EHPGDHSD17B10MAPTDAO
SCHEMBL8159258 0.77 SMN1; SMN2 (0.35) KDM4EHPGDHSD17B10MAPTDAO
SCHEMBL1004485 0.76 DAO (0.40) KDRKDM4EHPGDHSD17B10MAPT
SCHEMBL12777457 0.76 DAO (0.40) KDRKDM4EHPGDHSD17B10MAPT
SCHEMBL1004425 0.75 TDP1 (0.34) ALDH1A1KMT2A
SCHEMBL1003681 0.75 HCAR2 (0.42) KDRALDH1A1

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
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-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 KDR 4851/4885KDM4E 1859/4885HPGD 624/4885
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE KDR 4851/4885KDM4E 1859/4885HPGD 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.