SCHEMBL1004549

SCHEMBL1004549

Cc1cc(C)cc(CC2CCc3[nH]c(C(=O)O)cc32)c1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.34
MAOA P21397 1/20 0.34
CISD1 Q9NZ45 1/20 0.34
PIN1 Q13526 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
ESR1 P03372 4/20 0.31
ESR2 Q92731 4/20 0.31
MAPT P10636 2/20 0.31
LMNA P02545 2/20 0.31
EPHX1 P07099 1/20 0.30
ALOX15 P16050 1/20 0.30
NFKB1 P19838 1/20 0.30
BLM P54132 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL1005398 0.88 ALDH1A1 (0.40) ALDH1A1ESR1ESR2
SCHEMBL1002831 0.86 XDH (0.38) MAOACISD1KDM4EALDH1A1RAB9A
SCHEMBL1003853 0.84 DDB1 (0.44) KDM4EALDH1A1ESR1ESR2MAPT
SCHEMBL12777445 0.84 DDB1 (0.44) KDM4EALDH1A1ESR1ESR2MAPT
SCHEMBL1005295 0.84 PPARD (0.35) ESR1ESR2LMNASMN1; SMN2
SCHEMBL1003668 0.81 ESR1 (0.38) ESR1ESR2
SCHEMBL1004540 0.81 ESR1 (0.41) KDM4EESR1ESR2LMNABLM
SCHEMBL1007006 0.81 ESR1 (0.38) KDM4EALDH1A1ESR1ESR2LMNA
SCHEMBL8159258 0.80 SMN1; SMN2 (0.35) PIN1KDM4EALDH1A1RAB9AMAPT
SCHEMBL12777375 0.80 SMN1; SMN2 (0.35) PIN1KDM4EALDH1A1RAB9AMAPT

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 TPMT 201/4885MAOA 15/4885CISD1 599/4885

“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.