SCHEMBL1004425

SCHEMBL1004425

CC(C)CC1CCc2[nH]c(C(=O)O)cc21

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.34
MME P08473 1/20 0.34
EIF4A3 P38919 6/20 0.33
ALOX15 P16050 1/20 0.33
NFKB1 P19838 1/20 0.33
BLM P54132 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KMT2A Q03164 1/20 0.33
FBP1 P09467 2/20 0.33
AR P10275 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
RAB9A P51151 1/20 0.31
HCAR3 P49019 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
SCHEMBL8159258 0.85 SMN1; SMN2 (0.35) ALOX15NFKB1BLMSMN1; SMN2KMT2A
SCHEMBL12777375 0.85 SMN1; SMN2 (0.35) ALOX15NFKB1BLMSMN1; SMN2KMT2A
SCHEMBL1002588 0.85 XDH (0.39) KMT2AALDH1A1
SCHEMBL1003681 0.82 HCAR2 (0.42) ALOX15NFKB1BLMSMN1; SMN2AR
SCHEMBL1006240 0.79 PTGS1 (0.42) EIF4A3KMT2A
SCHEMBL1004020 0.79 SMN1; SMN2 (0.35) EIF4A3ALOX15NFKB1BLMSMN1; SMN2
SCHEMBL2074449 0.78 ALOX15 (0.33) ALOX15NFKB1BLMSMN1; SMN2ALDH1A1
SCHEMBL1004549 0.78 TPMT (0.34) ALOX15NFKB1BLMSMN1; SMN2ALDH1A1
SCHEMBL1003853 0.77 DDB1 (0.44) ALDH1A1
SCHEMBL12777445 0.77 DDB1 (0.44) ALDH1A1

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 9 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
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 TDP1 358/4885MME 906/4885EIF4A3 3143/4885
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE TDP1 358/4885MME 906/4885EIF4A3 3143/4885

“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.