SCHEMBL879295

SCHEMBL879295

CCCCCCCCc1ccc(C(=O)CCCCC(=O)O)cc1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRA P10827 8/20 0.70
THRB P10828 8/20 0.70
HAO1 Q9UJM8 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
HSD17B3 P37058 5/20 0.61
S1PR1 P21453 3/20 0.61
S1PR3 Q99500 3/20 0.61
S1PR2 O95136 2/20 0.61

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
SCHEMBL9077274 1.00 THRA (0.70) THRATHRBHAO1L3MBTL1HSD17B3
SCHEMBL9077717 1.00 THRA (0.70) THRATHRBHAO1L3MBTL1HSD17B3
SCHEMBL9075714 1.00 THRA (0.70) THRATHRBHAO1L3MBTL1HSD17B3
SCHEMBL9076086 1.00 THRA (0.70) THRATHRBHAO1L3MBTL1HSD17B3
SCHEMBL9075808 1.00 THRA (0.70) THRATHRBHAO1L3MBTL1HSD17B3
SCHEMBL9078370 1.00 THRA (0.70) THRATHRBHAO1L3MBTL1HSD17B3
SCHEMBL28276142 1.00 THRA (0.70) THRATHRBHAO1L3MBTL1HSD17B3
SCHEMBL9077531 0.98 THRA (0.68) THRATHRBHAO1L3MBTL1HSD17B3
SCHEMBL9078298 0.97 THRA (0.70) THRATHRBHAO1L3MBTL1S1PR1
SCHEMBL9077548 0.95 THRA (0.68) THRATHRBHAO1L3MBTL1S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2481743-B1 LPA receptor agonists and antagonists and methods of use UNIV TENNESSEE RES FOUND (US) 2017-03-22 EP disclosed
EP-2433946-B1 LPA receptor agonists and antagonists and methods of use UNIV TENNESSEE RES FOUNDATION (US) 2016-04-20 EP disclosed
EP-2262371-B1 LPA RECEPTOR AGONISTS AND ANTAGONISTS RXBIO INC (US) 2014-01-01 EP disclosed
EP-2481743-A1 LPA receptor agonists and antagonists and methods of use UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2012-08-01 EP disclosed
US-20120135967-A1 LPA RECEPTOR AGONISTS AND ANTAGONISTS AND METHODS OF USE MILLER DUANE D (US) 2012-05-31 US disclosed
EP-2433946-A1 LPA receptor agonists and antagonists and methods of use University of Tennessee Research Foundation (US) 2012-03-28 EP disclosed
US-20120010424-A1 LPA Receptor Agonists and Antagonists RXBIO INC. 2012-01-12 US disclosed
EP-1678096-B1 LPA RECEPTOR AGONISTS AND ANTAGONISTS AND METHODS OF USE UNIV TENNESSEE RES FOUNDATION (US) 2012-01-04 EP disclosed
US-7947665-B2 lysophosphatidic acid receptor modulator; thiophosphoric acid O-[7-(4-octyl-phenyl)-heptyl] ester; treating cancer, wounds, skin disorders and apoptosis; preserving or restoring function in a cell, tissue or organ; culturing cells; preserving organ or tissue function; and enhancing cell proliferation MILLER DUANE D 2011-05-24 US disclosed
US-20080090783-A1 lysophosphatidic acid receptor modulator; thiophosphoric acid O-[7-(4-octyl-phenyl)-heptyl] ester; treating cancer, wounds, skin disorders and apoptosis; preserving or restoring function in a cell, tissue or organ; culturing cells; preserving organ or tissue function; and enhancing cell proliferation MILLER DUANE D 2008-04-17 US disclosed
US-7217704-B2 LPA receptor agonists and antagonists and methods of use THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2007-05-15 US disclosed
US-5504244-A 3-(4-N-PENTYLPHENYLACYL)BENZOIC ACID OR SALT OR ESTER BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1996-04-02 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 (3 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-20120010424-A1 LPA Receptor Agonists and Antagonists LPAR1, LPAR2, LPAR4 THRA 1287/4885THRB 1099/4885HAO1 572/4885
US-20120135967-A1 LPA RECEPTOR AGONISTS AND ANTAGONISTS AND METHODS OF USE LPAR1, LPAR2, LPAR4 THRA 1139/4885THRB 1296/4885HAO1 964/4885
US-20080090783-A1 lysophosphatidic acid receptor modulator; thiophosphoric acid O-[7-(4-octyl-phenyl)-heptyl] ester; treating cancer, wounds, skin disorders and apoptosis; preserving or restoring function in a cell, tissue or organ; culturing cells; preserving organ or tissue function; and enhancing cell proliferation LPAR1, LPAR4, LPAR2 THRA 461/4885THRB 755/4885HAO1 1167/4885

“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.