SCHEMBL3337731

SCHEMBL3337731

COc1cc(COC(=O)CCCCCCCC(C)C)ccc1O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.66
CYP2C9 P11712 4/20 0.66
CYP2C19 P33261 4/20 0.66
CYP1A2 P05177 3/20 0.66
CYP2D6 P10635 3/20 0.66
MEN1 O00255 1/20 0.66
POLB P06746 1/20 0.66
TSHR P16473 1/20 0.66
BLM P54132 1/20 0.66
PMP22 Q01453 1/20 0.66
KMT2A Q03164 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66
TRPV1 Q8NER1 8/20 0.54
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53

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
SCHEMBL1585862 1.00 CYP3A4 (0.66) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL1586484 1.00 CYP3A4 (0.66) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL3339105 1.00 CYP3A4 (0.66) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL6002617 0.95 TSHR (0.59) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL3355647 0.90 CYP3A4 (0.54) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL2205924 0.90 MEN1 (0.53) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL3337181 0.90 CYP3A4 (0.54) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL3340655 0.90 CYP3A4 (0.54) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL2207420 0.88 CYP3A4 (0.52) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL3337759 0.88 CYP3A4 (0.52) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9399030-B2 Topically applied circulation enhancing agent and skin and hair cosmetic and bath agent containing the same AJINOMOTO CO., INC. (JP) 2016-07-26 US claimed
US-20060287390-A1 Topically applied circulation enhancing agent and skin and hair cosmetic and bath agent containing the same AJINOMOTO CO., INC. (JP) 2006-12-21 US claimed
US-9399030-B2 Topically applied circulation enhancing agent and skin and hair cosmetic and bath agent containing the same AJINOMOTO CO., INC. (JP) 2016-07-26 US disclosed
EP-1853547-B1 PRODUCTION METHOD OF CAPSINOID BY DEHYDRATING CONDENSATION AND STABILIZING METHOD OF CAPSINOID AJINOMOTO KK (JP) 2014-11-12 EP disclosed
CN-101904834-B Production method of capsinoid by dehydrating condensation, stabilizing method of capsinoid, and capsinoid composition AJINOMOTO KK 2013-09-25 CN disclosed
CN-101137613-B Method for producing capsinoid by dehydration condensation, method for stabilizing capsinoid, and capsinoid composition AJINOMOTO KK 2012-03-28 CN disclosed
CN-101904834-A Prepare the method for capsaicin Ester, the antihunt means and the capsaicin Ester compositions of capsaicin Ester by dehydrating condensation AJINOMOTO KK 2010-12-08 CN disclosed
US-20100152291-A1 PRODUCTION METHOD OF CAPSINOID BY DEHYDRATING CONDENSATION, STABILIZING METHOD OF CAPSINOID, AND CAPSINOID COMPOSITION AJINOMOTO CO., INC. (JP) 2010-06-17 US disclosed
US-7700331-B2 Production method of capsinoid by dehydrating condensation, stabilizing method of capsinoid, and capsinoid composition AJINOMOTO CO., INC. (JP) 2010-04-20 US disclosed
CN-101137613-A Method for producing capsinoid by dehydration condensation, method for stabilizing capsinoid, and capsinoid composition AJINOMOTO KK (JP) 2008-03-05 CN disclosed
EP-1853547-A1 PRODUCTION METHOD OF CAPSINOID BY DEHYDRATING CONDENSATION, STABILIZING METHOD OF CAPSINOID, AND CAPSINOID COMPOSITION Ajinomoto Co., Inc. (JP) 2007-11-14 EP disclosed
US-20070020738-A1 produced in a high yield in a short time using an enzyme; capsinoid can be stably preserved by coexistence of a fatty acid; enables industrially production AJINOMOTO CO., INC (JP) 2007-01-25 US disclosed
US-20060287390-A1 Topically applied circulation enhancing agent and skin and hair cosmetic and bath agent containing the same AJINOMOTO CO., INC. (JP) 2006-12-21 US disclosed
WO-2006088239-A1 PRODUCTION METHOD OF CAPSINOID BY DEHYDRATING CONDENSATION, STABILIZING METHOD OF CAPSINOID, AND CAPSINOID COMPOSITION AJINOMOTO CO., INC. (JP) 2006-08-24 WO 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 (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-20060287390-A1 Topically applied circulation enhancing agent and skin and hair cosmetic and bath agent containing the same CUTA, VEGFA, LIPG CYP3A4 1221/4885CYP2C9 399/4885CYP2C19 366/4885
US-20100152291-A1 PRODUCTION METHOD OF CAPSINOID BY DEHYDRATING CONDENSATION, STABILIZING METHOD OF CAPSINOID, AND CAPSINOID COMPOSITION FADS2, FADS1, FASN CYP3A4 975/4885CYP2C9 1619/4885CYP2C19 1274/4885

“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.