SCHEMBL11028587

SCHEMBL11028587

CCCCCCCCCCCCCCCc1ccc(C(=O)O)c(C)c1

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.78
PPARA Q07869 2/20 0.72
KAT8 Q9H7Z6 2/20 0.68
PPARG P37231 1/20 0.67
RARA P10276 2/20 0.61
RARG P13631 1/20 0.61
PLK1 P53350 6/20 0.59
PLK3 Q9H4B4 1/20 0.59
MEN1 O00255 1/20 0.58
ALDH1A1 P00352 1/20 0.58
MAPT P10636 1/20 0.58
MTOR P42345 1/20 0.58
KMT2A Q03164 1/20 0.58

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
SCHEMBL5609669 1.00 RARB (0.78) RARBPPARAKAT8PPARGRARA
SCHEMBL4308582 1.00 RARB (0.78) RARBPPARAKAT8PPARGRARA
SCHEMBL20503376 1.00 RARB (0.78) RARBPPARAKAT8PPARGRARA
SCHEMBL551744 0.93 RARB (0.68) RARBPPARAKAT8PPARGRARA
SCHEMBL4187659 0.88 RARB (1.00) RARBPPARAKAT8PPARGRARA
SCHEMBL4611393 0.88 RARB (1.00) RARBPPARAKAT8PPARGRARA
SCHEMBL3033031 0.87 KAT8 (0.77) RARBPPARAKAT8PPARGRARA
SCHEMBL10792437 0.87 KAT8 (0.77) RARBPPARAKAT8PPARGRARA
SCHEMBL9665751 0.87 KAT8 (0.77) RARBPPARAKAT8PPARGRARA
SCHEMBL3029363 0.87 KAT8 (0.77) RARBPPARAKAT8PPARGRARA

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 RARB 3143/4885PPARA 3412/4885KAT8 2965/4885

“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.