SCHEMBL906529

SCHEMBL906529

CCCCNCc1ccc(O)c(OC)c1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.60
POLB P06746 1/20 0.60
ALDH1A1 P00352 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
HPGD P15428 1/20 0.60
ALOX15 P16050 1/20 0.60
CYP2C19 P33261 1/20 0.60
BLM P54132 1/20 0.60
PMP22 Q01453 1/20 0.60

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
SCHEMBL1042189 0.95 ALDH1A1 (0.62) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2800439 0.94 ALDH1A1 (0.64) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL598034 0.94 ALDH1A1 (0.64) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL22788513 0.94 ALDH1A1 (0.64) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL11856117 0.91 FOS (0.57)
SCHEMBL29442241 0.89 KDM4E (0.61) KDM4EPOLB
SCHEMBL7768865 0.89 FOS (0.62) KDM4EPOLBALDH1A1CYP3A4ALOX15
SCHEMBL5537900 0.87 TRPV1 (0.69) ALDH1A1CYP1A2CYP3A4CYP2D6HPGD
SCHEMBL5351451 0.87 TRPV1 (0.69) ALDH1A1CYP1A2CYP3A4CYP2D6HPGD
SCHEMBL29207410 0.86 TRPV1 (0.69) ALDH1A1CYP1A2CYP3A4CYP2D6HPGD

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 13 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
US-3983151-A Process for the preparation of 4-hydroxy-3-methoxy-phenylacetonitrile BAYER AKTIENGESELLSCHAFT (DT) 1976-09-28 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-20110015227-A1 WARMING SENSATE COMPOSITION TAS1R3, TAS2R30, TAS2R50 KDM4E 4523/4885POLB 3827/4885ALDH1A1 1400/4885

“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.