SCHEMBL2186629

SCHEMBL2186629

CCCCCCCCc1ccc(C(=O)Nc2ccc(CCCCC(=O)O)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.68
NR1H4 Q96RI1 2/20 0.68
S1PR1 P21453 3/20 0.64
KDM4E B2RXH2 2/20 0.61
PLK1 P53350 3/20 0.58
PLK3 Q9H4B4 3/20 0.58
S1PR3 Q99500 2/20 0.58
S1PR2 O95136 1/20 0.58
THRA P10827 3/20 0.56
THRB P10828 3/20 0.56
NPC1 O15118 1/20 0.56
GALR3 O60755 1/20 0.56
RAB9A P51151 1/20 0.56

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
SCHEMBL6931328 0.91 TRPV1 (0.64) TRPV1NR1H4S1PR1KDM4EPLK1
SCHEMBL6927630 0.91 TRPV1 (0.64) TRPV1NR1H4S1PR1KDM4EPLK1
SCHEMBL12440862 0.87 TRPV1 (0.69) TRPV1KDM4EPLK1PLK3THRA
SCHEMBL14088989 0.87 NR1H4 (0.81) TRPV1NR1H4KDM4ENPC1GALR3
SCHEMBL6931226 0.87 TRPV1 (0.58) TRPV1NR1H4S1PR1KDM4EPLK1
SCHEMBL6931223 0.87 TRPV1 (0.58) TRPV1NR1H4S1PR1KDM4EPLK1
SCHEMBL2831713 0.86 TRPV1 (0.68) TRPV1KDM4EPLK1PLK3THRA
SCHEMBL15922369 0.86 TRPV1 (0.68) TRPV1KDM4EPLK1PLK3THRA
SCHEMBL8756857 0.86 TRPV1 (0.68) TRPV1KDM4EPLK1PLK3THRA
SCHEMBL8391488 0.86 TRPV1 (0.68) TRPV1KDM4EPLK1PLK3THRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2343306-B1 Glycolipid derivatives, process for production of the same, intermediates for synthesis thereof, and process for production of the intermediates JAPAN PRESIDENT NAT CT NEUROLOGY & PSYCHIATRY (JP) 2018-04-04 EP disclosed
US-8034908-B2 Glycolipids and synthetic method thereof as well as their synthetic intermediates, and synthetic method thereof JAPAN AS REPRESENTED BY PRESIDENT OF NATIONAL CENTER OF NEUROLOGY AND PSYCHIATRY (JP) 2011-10-11 US disclosed
EP-2343306-A1 Glycolipid derivatives, process for production of the same, intermediates for synthesis thereof, and process for production of the intermediates Japan as represented by President of National Center of Neurology and Psychiatry Ministry of Health (JP) 2011-07-13 EP disclosed
US-20100210828-A1 NEW GLYCOLIPIDS AND SYNTHETIC METHOD THEREOF AS WELL AS THEIR SYNTHETIC INTERMEDIATES, AND SYNTHETIC METHOD THEREOF JAPAN AS REPRESENTED BY THE PRESIDENT OF NATIONAL CENTER OF NEUROLOGY AND PSYCHIATRY (JP) 2010-08-19 US disclosed
US-7732583-B2 Glycolipids and synthetic method thereof as well as their synthetic intermediates, and synthetic intermediates, and synthetic method thereof JAPAN AS REPRESENTED BY PRESIDENT OF NATIONAL CENTER OF NEUROLOGY AND PSYCHIATRY (JP) 2010-06-08 US disclosed
US-20060074235-A1 Glycolipids derivatives, process for production of the same, intermediates for synthesis thereof, and process for production of the intermediates JAPAN AS REPRESENTED BY PRESIDENT OF NATIONAL CENTER OF NEUROLOGY AND PSYCHIATRY (JP) 2006-04-06 US disclosed
EP-1619199-A1 GLYCOLIPID DERIVATIVES, PROCESS FOR PRODUCTION OF THE SAME, INTERMEDIATES FOR SYNTHESIS THEREOF, AND PROCESS FOR PRODUCTION OF THE INTERMEDIATES Daiichi Asubio Pharma Co., Ltd. (JP) 2006-01-25 EP 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-20100210828-A1 NEW GLYCOLIPIDS AND SYNTHETIC METHOD THEREOF AS WELL AS THEIR SYNTHETIC INTERMEDIATES, AND SYNTHETIC METHOD THEREOF SGMS1, UGCG, SGMS2 TRPV1 3866/4885NR1H4 1702/4885S1PR1 12/4885

“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.