SCHEMBL2076793

SCHEMBL2076793

COC(=O)c1cc2c([nH]1)CCC2Cc1cccc(C(C)=O)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDKN1A P38936 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.39
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
SLC7A5 Q01650 1/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
ALDH1A1 P00352 2/20 0.36
EPHX1 P07099 1/20 0.35
NPC1 O15118 2/20 0.35
POLB P06746 1/20 0.35
PARP1 P09874 1/20 0.35
PPM1D O15297 1/20 0.35
MAOB P27338 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
IL4I1 Q96RQ9 1/20 0.34
TSHR P16473 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
SCHEMBL1004863 0.88 CDKN1A (0.47) CDKN1AESR1ESR2ALDH1A1EPHX1
SCHEMBL1003014 0.87 MMP2 (0.39) CDKN1AESR1ESR2ALDH1A1NPC1
SCHEMBL1004824 0.87 ALDH1A1 (0.41) ALDH1A1NPC1
SCHEMBL2074424 0.86 MMP1 (0.41) ESR1ESR2ALDH1A1
SCHEMBL1005522 0.86 POLB (0.42) ESR1ESR2POLB
SCHEMBL1004611 0.86 MMP1 (0.45) ALDH1A1NPC1POLB
SCHEMBL1005383 0.86 MMP1 (0.41) ESR1ESR2POLBMAOBTSHR
SCHEMBL1005233 0.86 ESR1 (0.37) ESR1ESR2ALDH1A1NPC1POLB
SCHEMBL12952158 0.86 ESR1 (0.37) CDKN1ALOXL2CYP4F2CYP4A11ESR1
SCHEMBL1004070 0.85 MMP2 (0.42) CYP4F2CYP4A11ESR1ESR2ALDH1A1

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 CDKN1A 1505/4885LOXL2 756/4885CYP4F2 3992/4885

“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.