SCHEMBL2074473

SCHEMBL2074473

O=C(O)c1cc2c([nH]1)C(Cc1ccc(-c3ccccc3)cc1)CC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 5/20 0.53
PPARD Q03181 1/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
ESR1 P03372 4/20 0.38
ESR2 Q92731 4/20 0.38
HTR6 P50406 1/20 0.38
CYP19A1 P11511 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
ALPL P05186 1/20 0.37
ALPI P09923 1/20 0.37
ALPG P10696 1/20 0.37
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

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
SCHEMBL1003795 0.92 DDB1 (0.46) CYP26A1DDB1CRBNESR1ESR2
SCHEMBL12777444 0.92 DDB1 (0.46) CYP26A1DDB1CRBNESR1ESR2
SCHEMBL2074481 0.85 CYP26A1 (0.47) CYP26A1MEN1ALDH1A1KMT2ALMNA
SCHEMBL1006534 0.81 CYP26A1 (0.46) CYP26A1PPARDDDB1CRBNESR1
SCHEMBL1006648 0.81 ESR1 (0.56) CYP26A1ESR1ESR2CYP19A1
SCHEMBL1002980 0.80 ESR1 (0.40) DDB1CRBNESR1ESR2KMT2A
SCHEMBL1005081 0.80 CNR2 (0.44) ESR1ESR2
SCHEMBL1005498 0.79 DAO (0.40) CYP19A1ALDH1A1
SCHEMBL12777447 0.79 DAO (0.40) CYP19A1ALDH1A1
SCHEMBL1004426 0.77 HCAR2 (0.43) DDB1CRBNMEN1ALDH1A1KMT2A

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
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-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 2705/4885PPARD 3845/4885DDB1 637/4885

“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.