SCHEMBL11028757

SCHEMBL11028757

CCCCCCCCCCCCc1ccc2cc(C(=O)OC)ccc2c1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP4A11 Q02928 3/20 0.54
▸ CYP4F2 P78329 2/20 0.54
▸ MDH1 P40925 2/20 0.53
▸ DHODH Q02127 1/20 0.52
▸ MAPT P10636 2/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ PPARG P37231 1/20 0.50
▸ PPARA Q07869 1/20 0.50
▸ MGLL Q99685 1/20 0.49
▸ HAO1 Q9UJM8 1/20 0.49
▸ RARB P10826 4/20 0.49
▸ THRA P10827 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ RARA P10276 1/20 0.49
▸ MTOR P42345 1/20 0.49
▸ KMT2A Q03164 1/20 0.49

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
SCHEMBL7334879 1.00 CYP4A11 (0.54) CYP4A11CYP4F2MDH1DHODHMAPT
SCHEMBL11030754 1.00 CYP4A11 (0.54) CYP4A11CYP4F2MDH1DHODHMAPT
SCHEMBL2402292 1.00 CYP4A11 (0.54) CYP4A11CYP4F2MDH1DHODHMAPT
SCHEMBL181229 1.00 CYP4A11 (0.54) CYP4A11CYP4F2MDH1DHODHMAPT
SCHEMBL7338653 1.00 CYP4A11 (0.54) CYP4A11CYP4F2MDH1DHODHMAPT
SCHEMBL20178553 0.94 CYP4A11 (0.54) CYP4A11CYP4F2MDH1DHODHMAPT
SCHEMBL6069166 0.85 CYP4A11 (0.73) CYP4A11CYP4F2MAPTSMN1; SMN2HAO1
SCHEMBL14660877 0.85 CYP4A11 (0.73) CYP4A11CYP4F2MAPTSMN1; SMN2HAO1
SCHEMBL12814607 0.85 CYP4A11 (0.73) CYP4A11CYP4F2MAPTSMN1; SMN2HAO1
SCHEMBL10986414 0.85 CYP4A11 (0.73) CYP4A11CYP4F2MAPTSMN1; SMN2HAO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673882-B2 Inhibitors of autotaxin UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2014-03-18 — — US disclosed
WO-2012100018-A1 INHIBITORS OF AUTOTAXIN UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2012-07-26 — — WO disclosed
US-20120190650-A1 Inhibitors of Autotaxin UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2012-07-26 — — 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-20120190650-A1 Inhibitors of Autotaxin ENPP2, PHPT1, PSPH CYP4A11 4081/4885CYP4F2 4487/4885MDH1 1787/4885

“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.

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