SCHEMBL872423

SCHEMBL872423

CCc1cc2c(cc1C(C)=O)C(C)(C)CCC2(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 17/20 0.61
RARA P10276 5/20 0.57
RARB P10826 5/20 0.57
RARG P13631 5/20 0.57
RXRB P28702 4/20 0.57
RXRG P48443 4/20 0.57
HNF4A P41235 2/20 0.43
CXCR2 P25025 1/20 0.42
CYP26A1 O43174 2/20 0.41
CYP26B1 Q9NR63 2/20 0.41
MEN1 O00255 1/20 0.41
ABCB11 O95342 1/20 0.41
ESR1 P03372 1/20 0.41
PGR P06401 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD1 P21728 1/20 0.41
TBXA2R P21731 1/20 0.41

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
SCHEMBL29395963 1.00 RXRA (0.61) RXRARARARARBRARGRXRB
Acetic Acid SCHEMBL5879410 0.97 RXRA (0.62) RXRARARARARBRARGRXRB
SCHEMBL2897683 0.88 RXRA (0.64) RXRARARARARBRARGRXRB
SCHEMBL7217889 0.87 RXRA (0.72) RXRARARARARBRARGRXRB
SCHEMBL6910130 0.85 RXRA (0.62) RXRARARARARBRARGRXRB
SCHEMBL12418596 0.85 RXRA (0.50) RXRARARARARBRARGRXRB
SCHEMBL7950320 0.81 RXRA (0.57) RXRARARARARBRARGRXRB
SCHEMBL6668058 0.80 RXRA (0.50) RXRARARARARBRARGRXRB
SCHEMBL8853596 0.80 RXRA (0.43) RXRARARARARBRARGRXRB
SCHEMBL7946771 0.80 RXRA (0.52) RXRARARARARBRARGRXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190276469-A1 Cyclic Ketals As Fragrance Precursor Compounds HENKEL AG & CO. KGAA (DE) 2019-09-12 US claimed
US-20190010427-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY 2019-01-10 US claimed
US-20190010293-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY 2019-01-10 US claimed
CN-107151382-A The preparation method of fragrant plastic master batch 武汉纺织大学 2017-09-12 CN claimed
CN-102150625-A Functional straw mattress GUANGZHOU ACT IND CO LTD 2011-08-17 CN claimed
US-20070166341-A1 Solid volatile composition and method and system for making the same INTERNATIONAL ARTS & SCIENCE GROUP, INC. 2007-07-19 US claimed
US-6939845-B2 Fragrance precursors GIVAUDAN SA (CH) 2005-09-06 US claimed
EP-1167362-B1 Fragance precursors GIVAUDAN SA (CH) 2005-05-25 EP claimed
US-20020035055-A1 Fragrance precursors GIVAUDAN SA (CH) 2002-03-21 US claimed
EP-1167362-A1 Fragance precursors Givaudan SA (CH) 2002-01-02 EP claimed
EP-1146033-A2 Fragrance precursors Givaudan SA (CH) 2001-10-17 EP claimed
US-5554588-A IN WHICH AT LEAST HALF COMPRISES ETHERS, AROMATIC METHYL KETONES, ALCOHOLS, ESTERS AND SALICYLATES; DEODORANTS AND ACCEPTABLE FRAGRANCE LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1996-09-10 US claimed
US-5501805-A CONTAINING MUSK, SALICYLATE, ADDITIONAL FRAGRANCES; HAVING LOW ODOR INTENSITY LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1996-03-26 US claimed
EP-3881048-B1 DEVICE FOR REMOVING VOLATILE ORGANIC COMPOUNDS LETAT FRANCAIS REPRESENTE PAR LE MINI DE LINTERIEUR (FR) 2026-05-06 EP disclosed
US-11820961-B2 Musk compositions and methods of use thereof TAKASAGO INTERNATIONAL CORPORATION (JP) 2023-11-21 US disclosed
EP-3313361-B1 MUSK COMPOSITION AND METHODS OF USE THEREOF TAKASAGO PERFUMERY CO LTD (JP) 2023-09-13 EP disclosed
EP-0002510-A1 Cyclohexanes, method for their preparation, their use and compositions containing them L. Givaudan & Cie Société Anonyme (CH) 1979-06-27 EP disclosed
US-4150019-A COLORFAST, HEAT RESISTANT, MIGRATION HOECHST AKTIENGESELLSCHAFT (DE) 1979-04-17 US disclosed
US-4052341-A 3-METHYL-5-(2,2,3-TRIMETHYLCYCLOPENT-3-EN-1-YL)PENTAN-2-OL COMPOUND AND PERFUME COMPOSITIONS GIVAUDAN CORPORATION (US) 1977-10-04 US disclosed
US-4018719-A Synthetic musk perfume compound 1,1,2,3,3,5-hexamethylindan-6-nitrile POLAK'S FRUTAL WORKS, INC. (US) 1977-04-19 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 (3 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-20190276469-A1 Cyclic Ketals As Fragrance Precursor Compounds KCNK5, KLK5, KCNA1 RXRA 3946/4885RARA 2625/4885RARB 3978/4885
US-11820961-B2 Musk compositions and methods of use thereof MUSK, MSI2, SYMPK RXRA 1403/4885RARA 1615/4885RARB 1752/4885
US-20020035055-A1 Fragrance precursors FAAH2, FDPS, CYP51A1 RXRA 1950/4885RARA 1261/4885RARB 1482/4885

“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.