SCHEMBL2077036

SCHEMBL2077036

Cc1ccc(C2CCc3cc(C(=O)O)[nH]c32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.41
KDM4E B2RXH2 2/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HCAR2 Q8TDS4 1/20 0.38
SIRT1 Q96EB6 4/20 0.38
ADCY5 O95622 1/20 0.37
ALPL P05186 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALOX15 P16050 1/20 0.36
NFKB1 P19838 1/20 0.36
BLM P54132 1/20 0.36
KDM1A O60341 2/20 0.36
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
P2RY14 Q15391 1/20 0.34
MEN1 O00255 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
SCHEMBL1003858 0.86 F7 (0.41) KDM4EHPGDHCAR2SIRT1ALPL
SCHEMBL1004426 0.84 HCAR2 (0.43) PIN1KDM4EHPGDHSD17B10HCAR2
SCHEMBL1003998 0.84 ALDH1A1 (0.46) KDM4EHPGDHSD17B10SMN1; SMN2ALOX15
SCHEMBL1004534 0.81 ABCB1 (0.36) KDM4EHPGDHSD17B10HCAR2SMN1; SMN2
SCHEMBL1007331 0.79 PIN1 (0.40) PIN1KDM4EUSP2HPGDHSD17B10
SCHEMBL2074417 0.77 HCAR2 (0.39) PIN1KDM4EHPGDHSD17B10HCAR2
SCHEMBL1005339 0.77 LMNA (0.42) KDM4EHPGDHCAR2BLMMEN1
SCHEMBL2076913 0.77 MEN1 (0.42) KDM4EHPGDHCAR2KDM1AMAPT
SCHEMBL1004283 0.75 ALOX15 (0.48) HPGDALPLSMN1; SMN2ALOX15MAPT
SCHEMBL1004659 0.74 DRD2 (0.41) PIN1HCAR2SIRT2KMT2AABCG2

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 PIN1 1823/4885KDM4E 1859/4885USP2 2754/4885

“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.