SCHEMBL1006534

SCHEMBL1006534

O=C(O)c1cc2c([nH]1)CCC2Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 2/20 0.46
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
ESR1 P03372 5/20 0.37
ESR2 Q92731 5/20 0.37
HTR6 P50406 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
PPARD Q03181 1/20 0.36
RHEB Q15382 1/20 0.36
ABCC4 O15439 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
PTGS1 P23219 1/20 0.36
HTT P42858 1/20 0.36
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 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
SCHEMBL1003853 0.92 DDB1 (0.44) CYP26A1DDB1CRBNESR1ESR2
SCHEMBL12777445 0.92 DDB1 (0.44) CYP26A1DDB1CRBNESR1ESR2
SCHEMBL2077165 0.90 MMP1 (0.41) CYP26A1DDB1CRBNESR1ESR2
SCHEMBL1006707 0.88 ACMSD (0.39) CYP26A1ESR1ESR2
SCHEMBL1004866 0.87 CYP26A1 (0.42) CYP26A1MEN1ALDH1A1KMT2APPARD
SCHEMBL1004854 0.86 ESR1 (0.44) CYP26A1ESR1ESR2MEN1KMT2A
SCHEMBL1007006 0.86 ESR1 (0.38) CYP26A1ESR1ESR2MEN1ALDH1A1
SCHEMBL1003668 0.86 ESR1 (0.38) CYP26A1DDB1CRBNESR1ESR2
SCHEMBL1004540 0.86 ESR1 (0.41) CYP26A1ESR1ESR2MEN1KMT2A
SCHEMBL1007305 0.85 HSD17B10 (0.38) MEN1ALDH1A1KMT2ALMNA

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 CYP26A1 2705/4885DDB1 637/4885CRBN 3158/4885

“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.