SCHEMBL3337181

SCHEMBL3337181

CCC(C)CCCCCC(=O)OCc1ccc(O)c(OC)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.54
CYP2C9 P11712 5/20 0.54
CYP2C19 P33261 5/20 0.54
CYP1A2 P05177 4/20 0.54
CYP2D6 P10635 4/20 0.54
BLM P54132 2/20 0.54
PMP22 Q01453 2/20 0.54
MEN1 O00255 1/20 0.54
POLB P06746 1/20 0.54
TSHR P16473 1/20 0.54
KMT2A Q03164 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
TRPV1 Q8NER1 7/20 0.53
CYP2C8 P10632 3/20 0.50
CYP2B6 P20813 3/20 0.50
HTR1A P08908 2/20 0.49
CYP2A6 P11509 2/20 0.49
CYP2E1 P05181 1/20 0.49
LTA4H P09960 1/20 0.49
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL3340655 1.00 CYP3A4 (0.54) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL3337759 0.99 CYP3A4 (0.52) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL3339105 0.90 CYP3A4 (0.66) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL1586484 0.90 CYP3A4 (0.66) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL3337731 0.90 CYP3A4 (0.66) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL1585862 0.90 CYP3A4 (0.66) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL2207413 0.86 TRPV1 (0.69) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL19126075 0.86 TRPV1 (0.69) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL3111764 0.86 TRPV1 (0.69) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL5923303 0.86 TRPV1 (0.69) 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 10 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
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
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.