SCHEMBL1004863

SCHEMBL1004863

CC(=O)c1cccc(CC2CCc3[nH]c(C(=O)O)cc32)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDKN1A P38936 1/20 0.47
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
EPHX1 P07099 1/20 0.37
MAOB P27338 1/20 0.36
IL4I1 Q96RQ9 1/20 0.36
CREBBP Q92793 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
GRIK1 P39086 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
CCR3 P51677 1/20 0.34
SLC6A3 Q01959 1/20 0.34
PRSS1 P07477 1/20 0.33
FOLH1 Q04609 1/20 0.33
KIF11 P52732 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL1004575 0.89 OPRK1 (0.44) CDKN1AESR1ESR2EPHX1MAOB
SCHEMBL2076793 0.88 CDKN1A (0.45) CDKN1AESR1ESR2EPHX1MAOB
SCHEMBL1005398 0.86 ALDH1A1 (0.40) CDKN1AESR1ESR2ALDH1A1NPC1
SCHEMBL12777445 0.85 DDB1 (0.44) ESR1ESR2ALDH1A1KDM4E
SCHEMBL1003853 0.85 DDB1 (0.44) ESR1ESR2ALDH1A1KDM4E
SCHEMBL1006812 0.84 ESR1 (0.40) ESR1ESR2MRGPRX4
SCHEMBL1005137 0.84 ESR1 (0.42) ESR1ESR2ALDH1A1
SCHEMBL1003672 0.84 HCAR2 (0.40) ESR1ESR2ALDH1A1TDP1KDM4E
SCHEMBL2077165 0.84 MMP1 (0.41) ESR1ESR2
SCHEMBL12952179 0.84 ESR1 (0.40) ESR1ESR2MAOB

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 CDKN1A 1505/4885ESR1 3231/4885ESR2 4183/4885

“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.