SCHEMBL2980239

SCHEMBL2980239

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
PPARA Q07869 3/20 0.59
PTGS1 P23219 2/20 0.59
PPARG P37231 1/20 0.59
PPARD Q03181 1/20 0.59
ALOX5 P09917 3/20 0.59
CYP3A4 P08684 2/20 0.59
AR P10275 1/20 0.59
TRPM8 Q7Z2W7 1/20 0.59
TDP1 Q9NUW8 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
GAA P10253 3/20 0.51
TSHR P16473 1/20 0.51
NFKB1 P19838 1/20 0.51
MAPT P10636 3/20 0.51
KDM4E B2RXH2 2/20 0.51

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
SCHEMBL29410312 1.00 ALDH1A1 (0.59) ALDH1A1PPARAPTGS1PPARGPPARD
1,4-Dimethoxybenzene SCHEMBL29391846 0.95 PTGS1 (0.54) ALDH1A1PPARAPTGS1PPARGPPARD
Eugenol SCHEMBL30146859 0.91 ALDH1A1 (0.68) ALDH1A1PPARAPTGS1PPARGPPARD
Eugenyl Acetate SCHEMBL29614117 0.90 PTGS1 (0.79) ALDH1A1PPARAPTGS1PPARGPPARD
SCHEMBL17537956 0.84 GAA (0.70) ALDH1A1PTGS1CYP3A4TDP1MEN1
SCHEMBL2171434 0.83 MEN1 (0.59) ALDH1A1PPARAPTGS1PPARGPPARD
SCHEMBL16131105 0.83 ALDH1A1 (0.69) ALDH1A1PPARAPTGS1PPARGPPARD
SCHEMBL17537909 0.82 ALDH1A1 (0.73) ALDH1A1PPARAPTGS1PPARGPPARD
Methyleugenol SCHEMBL28236748 0.82 CYP3A4 (0.68) ALDH1A1PPARAPTGS1PPARGPPARD
SCHEMBL951305 0.81 PPARA (0.68) ALDH1A1PPARAPTGS1PPARGPPARD

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
CN-118160769-A Basil essential oil preservation solution, preparation method thereof and application thereof in refrigeration preservation of snakehead slices 上海海洋大学 2024-06-11 CN claimed
CN-117280252-A Multifocal diffractive silicone hydrogel contact lenses 爱尔康公司 2023-12-22 CN claimed
CN-118160769-A Basil essential oil preservation solution, preparation method thereof and application thereof in refrigeration preservation of snakehead slices 上海海洋大学 2024-06-11 CN disclosed
CN-117603052-A Ester derivative of (iso) eugenol and preparation method and application thereof 中国农业大学 2024-02-27 CN disclosed
CN-117280252-A Multifocal diffractive silicone hydrogel contact lenses 爱尔康公司 2023-12-22 CN disclosed
CN-116888193-A Polysiloxane vinyl cross-linking agent with high refractive index 爱尔康公司 2023-10-13 CN disclosed
CN-110878012-A Synthetic method of E-type methyl styrene compound 南京大学 2020-03-13 CN disclosed
EP-2687586-B1 Use of defined cyclohexenones as a means for the additive reinforcement of a smell impression and composition of aromas and/or tastes SYMRISE AG (DE) 2016-11-23 EP disclosed
US-20150150770-A1 METHODS OF TREATING SKIN TRACIE MARTYN INTERNATIONAL INC (US) 2015-06-04 US disclosed
US-20140155961-A1 METHODS OF TREATING SKIN Tracie Martyn International, Inc. (US) 2014-06-05 US disclosed
EP-2687586-A1 Use of defined cyclohexenones as a means for the additive reinforcement of a smell impression and composition of aromas and/or tastes Symrise AG (DE) 2014-01-22 EP disclosed
US-20100272790-A1 Methods of Treating Skin TRACIE MARTYN INTERNATIONAL, LLC (US) 2010-10-28 US disclosed
US-7776915-B2 Topical formulations and methods of use TRACIE MARTYN INTERNATIONAL, LLC (US) 2010-08-17 US disclosed
US-20060216251-A1 Topical formulations and methods of use TRACIE MARTYN INTERNATIONAL, LLC (US) 2006-09-28 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 (4 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-20140155961-A1 METHODS OF TREATING SKIN CUTA, LIPA, DLAT ALDH1A1 920/4885PPARA 192/4885PTGS1 2158/4885
US-20100272790-A1 Methods of Treating Skin CUTA, LIPA, DLAT ALDH1A1 920/4885PPARA 192/4885PTGS1 2158/4885
US-20150150770-A1 METHODS OF TREATING SKIN CUTA, LIPA, DLAT ALDH1A1 920/4885PPARA 192/4885PTGS1 2158/4885
US-20060216251-A1 Topical formulations and methods of use CPT1B, SLC25A20, CPT1A ALDH1A1 313/4885PPARA 259/4885PTGS1 1349/4885

“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.