SCHEMBL579290

SCHEMBL579290

CCCCCCOc1ccc(CO)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.57
S1PR1 P21453 1/20 0.57
S1PR3 Q99500 1/20 0.57
LPAR2 Q9HBW0 1/20 0.57
THRA P10827 1/20 0.52
THRB P10828 1/20 0.52
NPC1 O15118 1/20 0.51
POLB P06746 1/20 0.51
RAB9A P51151 1/20 0.51
SMPD1 P17405 3/20 0.50
PRSS1 P07477 1/20 0.50
EPHX2 P34913 1/20 0.50

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
SCHEMBL10427981 1.00 S1PR2 (0.57) S1PR2S1PR1S1PR3LPAR2THRA
SCHEMBL2820207 1.00 S1PR2 (0.57) S1PR2S1PR1S1PR3LPAR2THRA
SCHEMBL277697 0.98 S1PR2 (0.55) S1PR2S1PR1S1PR3LPAR2THRA
SCHEMBL579348 0.94 NPC1 (0.54) S1PR2S1PR1S1PR3LPAR2NPC1
SCHEMBL13398989 0.92 S1PR1 (0.51) S1PR2S1PR1S1PR3LPAR2SMPD1
SCHEMBL10996676 0.92 S1PR1 (0.51) S1PR2S1PR1S1PR3LPAR2SMPD1
SCHEMBL8846068 0.92 S1PR1 (0.51) S1PR2S1PR1S1PR3LPAR2SMPD1
SCHEMBL1238817 0.92 S1PR1 (0.51) S1PR2S1PR1S1PR3LPAR2SMPD1
SCHEMBL9706223 0.92 POLB (0.57) S1PR2S1PR1S1PR3LPAR2NPC1
SCHEMBL8845989 0.90 S1PR1 (0.49) S1PR2S1PR1S1PR3LPAR2SMPD1

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 302 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115721567-A Thermal wet tissue and preparation method thereof 芜湖悠派护理用品科技股份有限公司 2023-03-03 CN claimed
CN-111962292-A Spontaneous heating material body and spontaneous heating activated carbon non-woven fabric hair cap 上海创始实业(集团)有限公司 2020-11-20 CN claimed
CN-104887581-B A kind of oral care composition and preparation method thereof 云南天美天康生物科技有限公司 2018-02-23 CN claimed
EP-2742983-B1 Method for isolating fragrance and flavour compounds SYMRISE AG (DE) 2017-08-23 EP claimed
CN-105473002-A 1H-PYRROLE-2,4-DICARBONYL-DERIVATIVES AND THEIR USE AS FLAVORING AGENTS FRESENIUS KABI DE GMBH 2016-04-06 CN claimed
EP-2742983-A1 Method for isolating fragrance and flavour compounds Symrise AG (DE) 2014-06-18 EP claimed
US-20140113971-A1 Topical NSAID Compositions Having Sensate Component ZHANG JOANNA (US) 2014-04-24 US claimed
US-20110237674-A1 TOPICAL NSAID COMPOSITIONS HAVING SENSATE COMPONENT NOVARTIS AG (CH) 2011-09-29 US claimed
EP-2349248-A2 TOPICAL NSAID COMPOSITIONS HAVING SENSATE COMPONENT Novartis AG (CH) 2011-08-03 EP claimed
WO-2010045415-A2 TOPICAL NSAID COMPOSITIONS HAVING SENSATE COMPONENT NOVARTIS AG (CH) 2010-04-22 WO claimed
EP-0977554-B1 CONFECTIONERY COMPOSITIONS PROCTER & GAMBLE (US) 2004-06-16 EP claimed
EP-0977553-B1 THROAT SOOTHING COMPOSITIONS PROCTER & GAMBLE (US) 2003-09-10 EP claimed
US-6432441-B1 ENCAPSULATION OF ANALGESICS, EXPECTORANTS OR ANTITUSSIVE AGENTS WITHIN PHOSPHATIDES TO PROLONG DRUG DELIVERY THE PROCTER & GAMBLE COMPANY 2002-08-13 US claimed
US-6306429-B1 THROAT DROPS SUITABLE FOR RELIEF OF COUGH AND COLD SYMPTOMS THE PROCTER & GAMBLE COMPANY 2001-10-23 US claimed
EP-0977554-A1 CONFECTIONERY COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2000-02-09 EP claimed
EP-0977553-A1 THROAT SOOTHING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2000-02-09 EP claimed
WO-1998047483-A1 CONFECTIONERY COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1998-10-29 WO claimed
WO-1998047482-A1 THROAT SOOTHING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1998-10-29 WO claimed
EP-0837862-A1 WARMING COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1998-04-29 EP claimed
WO-1997002273-A1 WARMING COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1997-01-23 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20110237674-A1 TOPICAL NSAID COMPOSITIONS HAVING SENSATE COMPONENT TRPA1, TRPV1, PTGES S1PR2 2789/4885S1PR1 2374/4885S1PR3 2106/4885
US-20140113971-A1 Topical NSAID Compositions Having Sensate Component TRPA1, TRPV1, PTGES S1PR2 2789/4885S1PR1 2374/4885S1PR3 2106/4885

“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.