SCHEMBL2076152

SCHEMBL2076152

COC(=O)c1cc2c([nH]1)CC/C2=C/Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
MMP2 P08253 1/20 0.40
XDH P47989 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
CYP2C19 P33261 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
HIF1A Q16665 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL2076155 1.00 ALDH1A1 (0.40) ALDH1A1MMP2XDHKDM4EGAA
SCHEMBL2076156 1.00 ALDH1A1 (0.40) ALDH1A1MMP2XDHKDM4EGAA
SCHEMBL1004044 0.76 GAA (0.38) ALDH1A1XDHGAAKMT2AMEN1
SCHEMBL1004042 0.76 GAA (0.38) ALDH1A1XDHGAAKMT2AMEN1
SCHEMBL1004072 0.75 EGFR (0.44) ALDH1A1XDHKDM4EGAAKMT2A
SCHEMBL1004073 0.75 EGFR (0.44) ALDH1A1XDHKDM4EGAAKMT2A
SCHEMBL1004074 0.75 EGFR (0.44) ALDH1A1XDHKDM4EGAAKMT2A
SCHEMBL1003839 0.75 CYP1A2 (0.39) ALDH1A1XDHKDM4EGAAKMT2A
SCHEMBL1003840 0.75 CYP1A2 (0.39) ALDH1A1XDHKDM4EGAAKMT2A
SCHEMBL2074193 0.75 CYP1A2 (0.39) XDHKDM4EGAACYP1A2MAPT

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 3 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-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 ALDH1A1 465/4885MMP2 1641/4885XDH 9/4885
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE ALDH1A1 465/4885MMP2 1641/4885XDH 9/4885

“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.