SCHEMBL1005295

SCHEMBL1005295

Cc1ccc(CC2CCc3[nH]c(C(=O)O)cc32)cc1C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.35
ESR1 P03372 5/20 0.34
ESR2 Q92731 5/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALPL P05186 1/20 0.33
CA9 Q16790 1/20 0.33
LMNA P02545 1/20 0.33
PTBP1 P26599 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.33
ALKBH5 Q6P6C2 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
CDKN1A P38936 1/20 0.32
CYP26A1 O43174 1/20 0.32
OPRK1 P41145 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
SCHEMBL1004248 0.87 NPC1 (0.35) PPARDESR1ESR2MEN1KMT2A
SCHEMBL1005398 0.84 ALDH1A1 (0.40) PPARDESR1ESR2KMT2ACDKN1A
SCHEMBL1004549 0.84 TPMT (0.34) ESR1ESR2LMNASMN1; SMN2
SCHEMBL1007279 0.83 CA1 (0.48) MEN1KMT2ACA9SMN1; SMN2
SCHEMBL1003853 0.83 DDB1 (0.44) ESR1ESR2CYP26A1
SCHEMBL12777445 0.83 DDB1 (0.44) ESR1ESR2CYP26A1
SCHEMBL1006811 0.83 KDM4A (0.37) ESR1ESR2CYP26A1
SCHEMBL1004613 0.83 KDM5A (0.37) ESR1ESR2
SCHEMBL1007006 0.82 ESR1 (0.38) ESR1ESR2MEN1KMT2ALMNA
SCHEMBL1003668 0.82 ESR1 (0.38) ESR1ESR2CYP26A1

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 PPARD 3845/4885ESR1 3231/4885ESR2 4183/4885

“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.