SCHEMBL79526

SCHEMBL79526

Cc1cccc(CCCO)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
TRPA1 O75762 1/20 0.41
ATM Q13315 1/20 0.41
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
KMT2A Q03164 1/20 0.38
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
KDM4E B2RXH2 2/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 2/20 0.36
CYP4F2 P78329 2/20 0.36
CYP4A11 Q02928 2/20 0.36
PTGER1 P34995 1/20 0.34
PTGER4 P35408 1/20 0.34

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
SCHEMBL1322332 0.94 ESR1 (0.42) ESR1ESR2TRPA1ATMTP53
SCHEMBL28533080 0.92 ESR1 (0.41) ESR1ESR2TRPA1ATMTP53
SCHEMBL11286658 0.92 ESR1 (0.41) ESR1ESR2TRPA1ATMTP53
SCHEMBL629761 0.87 ESR1 (0.46) ESR1ESR2TRPA1ATMTP53
Water SCHEMBL29281670 0.85 ESR1 (0.44) ESR1ESR2TRPA1ATMTP53
Ammonia Solution, Strong SCHEMBL27972660 0.85 ESR1 (0.44) ESR1ESR2TRPA1ATMTP53
SCHEMBL29765276 0.85 ESR1 (0.43) ESR1ESR2TRPA1ATMTP53
SCHEMBL80017 0.83 TAAR1 (0.56) TP53TAAR1KDM4EPOLBALDH1A1
SCHEMBL29493080 0.83 TAAR1 (0.56) TP53TAAR1KDM4EPOLBALDH1A1
SCHEMBL1827105 0.83 PDCD1 (0.39) MAPTMAPK1PDCD1CD274KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3884018-A1 JASMOL Symrise AG (DE) 2021-09-29 EP claimed
EP-1284949-A2 SYNTHESIS AND ISOLATION OF METAL ALKOXIDES Mine Safety Appliances Company (US) 2003-02-26 EP claimed
US-20030023105-A1 Synthesis and isolation of metal alkoxides BURKHARDT ELIZABETH R (US) 2003-01-30 US claimed
WO-2001092191-A2 SYNTHESIS AND ISOLATION OF METAL ALKOXIDES MINE SAFETY APPLIANCES COMPANY (US) 2001-12-06 WO claimed
US-12031106-B2 Use of 1-ethyl-4,4-dimethyl-cyclohexane derivatives as fragrances SYMRISE AG (DE) 2024-07-09 US disclosed
EP-2966158-B2 Isomers mixtures of unsaturated macrocyclic musk compounds SYMRISE AG (DE) 2024-03-13 EP disclosed
US-20210395640-A1 USE OF 1-ETHYL-4,4-DIMETHYL-CYCLOHEXANE DERIVATIVES AS FRAGRANCES SYMRISE AG (DE) 2021-12-23 US disclosed
EP-3898910-A1 ALICYCLIC MUSK FRAGRANCE COMPOUNDS Symrise AG (DE) 2021-10-27 EP disclosed
US-11028034-B2 Method for producing rotundone-containing mixtures SYMRISE AG (DE) 2021-06-08 US disclosed
US-20200247740-A1 METHOD FOR PRODUCING ROTUNDONE-CONTAINING MIXTURES SYMRISE AG (DE) 2020-08-06 US disclosed
WO-2020125993-A1 ALICYCLIC MUSK FRAGRANCE COMPOUNDS SYMRISE AG (DE) 2020-06-25 WO disclosed
EP-3648613-A1 COMPOSITIONS AND METHODS FOR A UNIVERSAL CLINICAL TEST FOR OLFACTORY DYSFUNCTION The Rockefeller University (US) 2020-05-13 EP disclosed
CN-101057312-A Fluorescent lamp capable of slow release of organic evaporating materials at low temperature KONINKL PHILIPS ELECTRONICS NV (NL) 2007-10-17 CN disclosed
EP-1284949-A2 SYNTHESIS AND ISOLATION OF METAL ALKOXIDES Mine Safety Appliances Company (US) 2003-02-26 EP disclosed
US-20030023105-A1 Synthesis and isolation of metal alkoxides BURKHARDT ELIZABETH R (US) 2003-01-30 US disclosed
US-6444862-B1 SODIUM, LITHIUM, POTASSIUM SALT OF TERTIARY ALCOHOL MINE SAFETY APPLIANCES COMPANY 2002-09-03 US disclosed
WO-2001092191-A2 SYNTHESIS AND ISOLATION OF METAL ALKOXIDES MINE SAFETY APPLIANCES COMPANY (US) 2001-12-06 WO disclosed
US-6228480-B1 ADHESIVE LAYER AND SUBSTRATE NIPPON SODA CO., LTD. (JP) 2001-05-08 US disclosed
EP-0923988-A1 PHOTOCATALYST-CARRYING STRUCTURE AND PHOTOCATALYST COATING MATERIAL NIPPON SODA CO., LTD. (JP) 1999-06-23 EP disclosed
WO-1995019761-A1 NOVEL ALKYL INDANE ALDEHYDE COMPOUNDS UNION CAMP CORPORATION (US) 1995-07-27 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 (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-11028034-B2 Method for producing rotundone-containing mixtures TAS2R60, TAS2R16, TAS2R40 ESR1 4239/4885ESR2 4501/4885TRPA1 1237/4885
US-12031106-B2 Use of 1-ethyl-4,4-dimethyl-cyclohexane derivatives as fragrances ACMSD, ETV1, HTR1D ESR1 952/4885ESR2 913/4885TRPA1 42/4885
US-20200247740-A1 METHOD FOR PRODUCING ROTUNDONE-CONTAINING MIXTURES TAS2R60, TAS2R16, TAS2R40 ESR1 4239/4885ESR2 4501/4885TRPA1 1237/4885
US-20030023105-A1 Synthesis and isolation of metal alkoxides ADH1A, SOD1, ADH5 ESR1 2891/4885ESR2 1287/4885TRPA1 3068/4885

“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.