SCHEMBL906528

SCHEMBL906528

COc1cc(CCCCC(N)=O)ccc1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.67
OR51E2 Q9H255 1/20 0.64
TAAR1 Q96RJ0 2/20 0.64
TSHR P16473 2/20 0.64
MAPK1 P28482 1/20 0.64
CYP1A2 P05177 2/20 0.63
CYP3A4 P08684 2/20 0.63
CYP2C8 P10632 2/20 0.63
CYP2C9 P11712 2/20 0.63
CYP2B6 P20813 2/20 0.63
CYP2C19 P33261 2/20 0.63
LMNA P02545 1/20 0.62
GLA P06280 1/20 0.62
MTNR1A P48039 1/20 0.62
MTNR1B P49286 1/20 0.62
ALDH1A1 P00352 1/20 0.56
GAA P10253 1/20 0.56
NFKB1 P19838 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
PTPN1 P18031 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
SCHEMBL28378162 0.98 ALOX5 (0.66) ALOX5OR51E2TAAR1TSHRMAPK1
SCHEMBL2683415 0.98 ALOX5 (0.66) ALOX5OR51E2TAAR1TSHRMAPK1
SCHEMBL11575857 0.98 ALOX5 (0.66) ALOX5OR51E2TAAR1TSHRMAPK1
SCHEMBL5723843 0.95 ALOX5 (0.66) ALOX5OR51E2TAAR1TSHRMAPK1
SCHEMBL4155154 0.91 HTR1A (0.64) ALOX5OR51E2MAPK1CYP1A2CYP3A4
SCHEMBL5724212 0.91 ALOX5 (0.72) ALOX5OR51E2TAAR1TSHRMAPK1
SCHEMBL2221405 0.89 KDM4E (0.59) ALOX5ALDH1A1
SCHEMBL7824983 0.88 ALOX5 (0.71) ALOX5OR51E2TAAR1TSHRMAPK1
SCHEMBL5192275 0.88 KDM4E (0.57) ALOX5
SCHEMBL9281549 0.87 TAAR1 (0.76) ALOX5OR51E2TAAR1TSHRMAPK1

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-2276356-B1 WARMING SENSATE COMPOSITION FIRMENICH & CIE (CH) 2013-06-19 EP claimed
EP-2276356-A1 WARMING SENSATE COMPOSITION Firmenich S.A. (CH) 2011-01-26 EP claimed
US-20110015227-A1 WARMING SENSATE COMPOSITION FIRMENICH SA (CH) 2011-01-20 US claimed
WO-2009127992-A1 WARMING SENSATE COMPOSITION FIRMENICH SA (CH) 2009-10-22 WO claimed
EP-1874132-A1 HOT FLAVOUR AND SKIN SENSATION COMPOSITION FIRMENICH SA (CH) 2008-01-09 EP claimed
US-20080000614-A1 HOT FLAVOR AND SKIN SENSATION COMPOSITION FIRMENICH SA (CH) 2008-01-03 US claimed
WO-2006109241-A1 HOT FLAVOUR AND SKIN SENSATION COMPOSITION FIRMENICH SA (CH) 2006-10-19 WO claimed
WO-2012175276-A1 TASTE MODIFYING COMPOUND INCLUDING EVODIAMINE FIRMENICH SA (CH) 2012-12-27 WO disclosed
EP-1874132-A1 HOT FLAVOUR AND SKIN SENSATION COMPOSITION FIRMENICH SA (CH) 2008-01-09 EP disclosed
US-20080000614-A1 HOT FLAVOR AND SKIN SENSATION COMPOSITION FIRMENICH SA (CH) 2008-01-03 US disclosed
WO-2006109241-A1 HOT FLAVOUR AND SKIN SENSATION COMPOSITION FIRMENICH SA (CH) 2006-10-19 WO disclosed
CN-1411360-A Method of treating skin conditions AVON PROD INC (US) 2003-04-16 CN 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-20110015227-A1 WARMING SENSATE COMPOSITION TAS1R3, TAS2R30, TAS2R50 ALOX5 1307/4885OR51E2 103/4885TAAR1 95/4885

“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.