SCHEMBL891511

SCHEMBL891511

C=CCc1ccc(OC(=O)CC(C)C)c(OC)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.71
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
CYP3A4 P08684 2/20 0.64
TDP1 Q9NUW8 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
ALDH1A1 P00352 5/20 0.63
PPARA Q07869 3/20 0.63
PPARG P37231 1/20 0.63
PPARD Q03181 1/20 0.63
ALOX15 P16050 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
MAPT P10636 3/20 0.58
KDM4E B2RXH2 2/20 0.58
LMNA P02545 1/20 0.58
GAA P10253 1/20 0.58
HTT P42858 1/20 0.58
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
PRSS1 P07477 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
SCHEMBL30785667 0.88 PTGS1 (0.62) PTGS1MEN1KMT2ACYP3A4TDP1
SCHEMBL6861607 0.87 PTGS1 (0.76) PTGS1MEN1KMT2ACYP3A4TDP1
SCHEMBL30464902 0.87 PTGS1 (0.76) PTGS1MEN1KMT2ACYP3A4TDP1
SCHEMBL16131104 0.86 PTGS1 (0.74) PTGS1MEN1KMT2ACYP3A4TDP1
SCHEMBL2231075 0.86 PTGS1 (0.66) PTGS1MEN1KMT2ACYP3A4TDP1
SCHEMBL2227914 0.86 PTGS1 (0.66) PTGS1MEN1KMT2ACYP3A4TDP1
SCHEMBL6860845 0.86 PTGS1 (0.66) PTGS1MEN1KMT2ACYP3A4TDP1
SCHEMBL8743388 0.85 PTGS1 (0.72) PTGS1MEN1KMT2ACYP3A4TDP1
SCHEMBL14299273 0.85 PTGS1 (0.72) PTGS1MEN1KMT2ACYP3A4TDP1
SCHEMBL6860847 0.85 PTGS1 (0.72) PTGS1MEN1KMT2ACYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174457-A1 INSECT REPELLENT COMPOUNDS AND COMPOSITIONS, AND METHODS THEREOF UNIV IOWA STATE RES FOUND INC (US) 2023-06-08 US claimed
EP-3280411-B1 REDUCTION IN CPC TASTE AVERSION BY REDUCING CPC ACTIVATION OF TRPA1 RECEPTORS, TPRV1 RECEPTORS, OR BOTH PROCTER & GAMBLE (US) 2020-02-19 EP claimed
EP-3503733-A1 INSECT REPELLENT COMPOUNDS AND COMPOSITIONS, AND METHODS THEREOF Iowa State University Research Foundation, Inc. (US) 2019-07-03 EP claimed
US-20190047937-A1 INSECT REPELLENT COMPOUNDS AND COMPOSITIONS, AND METHODS THEREOF IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2019-02-14 US claimed
US-9993410-B2 Reduction in CPC taste aversion by reducing CPC activation of TRPA1, TPRV1, or both THE PROCTER & GAMBLE COMPANY (US) 2018-06-12 US claimed
WO-2018039376-A1 INSECT REPELLENT COMPOUNDS AND COMPOSITIONS, AND METHODS THEREOF IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2018-03-01 WO claimed
EP-3280411-A1 REDUCTION IN CPC TASTE AVERSION BY REDUCING CPC ACTIVATION OF TRPA1 RECEPTORS, TPRV1 RECEPTORS, OR BOTH The Procter and Gamble Company (US) 2018-02-14 EP claimed
US-20170333325-A1 REDUCTION IN CPC TASTE AVERSION BY REDUCING CPC ACTIVATION OF TRPA1, TPRV1, OR BOTH PROCTER & GAMBLE (US) 2017-11-23 US claimed
WO-2016164676-A1 REDUCTION IN CPC TASTE AVERSION BY REDUCING CPC ACTIVATION OF TRPA1 RECEPTORS, TPRV1 RECEPTORS, OR BOTH THE PROCTER & GAMBLE COMPANY (US) 2016-10-13 WO claimed
US-20160296445-A1 REDUCTION IN CPC TASTE AVERSION BY REDUCING CPC ACTIVATION OF TRPA1, TPRV1, OR BOTH THE PROCTER & GAMBLE COMPANY 2016-10-13 US claimed
US-20240391864-A1 INSECT REPELLENT COMPOUNDS AND COMPOSITIONS, AND METHODS THEREOF UNIV IOWA STATE RES FOUND INC (US) 2024-11-28 US disclosed
EP-4382518-A2 INSECT REPELLENT COMPOUNDS AND COMPOSITIONS, AND METHODS THEREOF Iowa State University Research Foundation, Inc. (US) 2024-06-12 EP disclosed
US-20240108040-A1 HIGH INTENSITY SWEETENERS FIRMENICH INCORPORATED (US) 2024-04-04 US disclosed
EP-3503733-B1 INSECT REPELLENT COMPOUNDS AND COMPOSITIONS, AND METHODS THEREOF UNIV IOWA STATE RES FOUND INC (US) 2024-03-20 EP disclosed
EP-3416729-B1 PRO-FRAGRANCE COMPOSITION AQDOT LTD (GB) 2023-09-20 EP disclosed
US-20100248390-A1 COMPOSITIONS AND METHODS FOR IDENTIFYING LIGANDS OF ODORANT RECEPTORS DUKE UNIVERSITY (US) 2010-09-30 US disclosed
WO-1999021006-A9 PHARMACEUTICAL GRADE VALERIAN, BLACK COHOSH, VITEX AGNUS-CASTUS, BILBERRY AND MILK THISTLE PHARMAPRINT INC (US) 1999-07-08 WO disclosed
WO-1999021006-A1 PHARMACEUTICAL GRADE VALERIAN, BLACK COHOSH, VITEX AGNUS-CASTUS, BILBERRY AND MILK THISTLE PHARMAPRINT, INC. (US) 1999-04-29 WO disclosed
EP-0900375-A1 PHARMACEUTICAL GRADE BOTANICAL DRUGS Pharmaprint, Inc. (US) 1999-03-10 EP disclosed
WO-1997039355-A1 PHARMACEUTICAL GRADE BOTANICAL DRUGS PHARMAPRINT, INC. (US) 1997-10-23 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 (6 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-20240108040-A1 HIGH INTENSITY SWEETENERS TAS2R40, TAS2R60, TAS1R1 PTGS1 1786/4885MEN1 2644/4885KMT2A 2697/4885
US-20160296445-A1 REDUCTION IN CPC TASTE AVERSION BY REDUCING CPC ACTIVATION OF TRPA1, TPRV1, OR BOTH TRPA1, TRPV1, TRPV4 PTGS1 3528/4885MEN1 3557/4885KMT2A 4366/4885
US-20190047937-A1 INSECT REPELLENT COMPOUNDS AND COMPOSITIONS, AND METHODS THEREOF C5, CYP51A1, DDT PTGS1 632/4885MEN1 1913/4885KMT2A 1269/4885
US-20230174457-A1 INSECT REPELLENT COMPOUNDS AND COMPOSITIONS, AND METHODS THEREOF C5, CYP51A1, DDT PTGS1 632/4885MEN1 1913/4885KMT2A 1269/4885
US-20240391864-A1 INSECT REPELLENT COMPOUNDS AND COMPOSITIONS, AND METHODS THEREOF C5, CYP51A1, DDT PTGS1 632/4885MEN1 1913/4885KMT2A 1269/4885
US-20170333325-A1 REDUCTION IN CPC TASTE AVERSION BY REDUCING CPC ACTIVATION OF TRPA1, TPRV1, OR BOTH TRPA1, TRPV1, TRPV4 PTGS1 3528/4885MEN1 3557/4885KMT2A 4366/4885

“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.