SCHEMBL3454548

SCHEMBL3454548

CCCCCOCc1cccc(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.56
AGXT P21549 2/20 0.56
EPHX2 P34913 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAOB P27338 4/20 0.49
TAAR1 Q96RJ0 3/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
PLA2G2A P14555 1/20 0.47
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL4734636 0.95 IDO1 (0.57) IDO1AGXTEPHX2TDP1L3MBTL1
SCHEMBL19049283 0.88 IDO1 (0.61) IDO1AGXTMAOBTAAR1
SCHEMBL7387588 0.86 IDO1 (0.54) IDO1AGXTTDP1L3MBTL1MAOB
SCHEMBL7558489 0.86 IDO1 (0.54) IDO1AGXTTDP1L3MBTL1MAOB
SCHEMBL23640522 0.85 IDO1 (0.57) IDO1AGXTTDP1L3MBTL1MAOB
SCHEMBL7386591 0.84 IDO1 (0.53) IDO1AGXTTDP1L3MBTL1MAOB
SCHEMBL3768643 0.82 IDO1 (0.71) IDO1AGXTMAOBTAAR1
SCHEMBL14001454 0.82 CHRM2 (0.59) IDO1AGXTTDP1L3MBTL1MAOB
SCHEMBL2091873 0.81 IDO1 (0.61) IDO1AGXTMAOBTAAR1
SCHEMBL7547832 0.81 CHRM2 (0.62) IDO1AGXTTDP1L3MBTL1MAOB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970172-B1 BICYCLO [2.2.2]ACID GPR120 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2019-10-30 EP disclosed
US-7820703-B2 Lysophosphatidic acid receptor selective antagonists UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2010-10-26 US disclosed
US-20080318901-A1 Novel Lysophosphatidic Acid Receptor Selective Antagonists UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2008-12-25 US disclosed
EP-1750722-A2 NOVEL LYSOPHOSPHATIDIC ACID RECEPTOR SELECTIVE ANTAGONISTS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2007-02-14 EP disclosed
WO-2005115150-A2 NOVEL LYSOPHOSPHATIDIC ACID RECEPTOR SELECTIVE ANTAGONISTS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2005-12-08 WO 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-20080318901-A1 Novel Lysophosphatidic Acid Receptor Selective Antagonists LPAR3, LPAR2, LPAR1 IDO1 945/4885AGXT 2021/4885EPHX2 720/4885

“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.