SCHEMBL112071

SCHEMBL112071

CC(=O)OC1CC(C)CC(C)(C)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
LMNA P02545 3/20 0.55
CYP3A4 P08684 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
NR1I2 O75469 1/20 0.52
ABCB11 O95342 1/20 0.52
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
CHRM2 P08172 2/20 0.35
CHRM4 P08173 2/20 0.35
CHRM5 P08912 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35
TSHR P16473 2/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
APLNR P35414 1/20 0.34
HTT P42858 1/20 0.33
PPP1CA P62136 1/20 0.33

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
SCHEMBL273539 1.00 ALDH1A1 (0.55) ALDH1A1LMNACYP3A4CYP1A2CYP2C9
SCHEMBL273538 1.00 ALDH1A1 (0.55) ALDH1A1LMNACYP3A4CYP1A2CYP2C9
SCHEMBL273013 1.00 ALDH1A1 (0.55) ALDH1A1LMNACYP3A4CYP1A2CYP2C9
SCHEMBL273014 1.00 ALDH1A1 (0.55) ALDH1A1LMNACYP3A4CYP1A2CYP2C9
SCHEMBL11591288 0.86 ALDH1A1 (0.56) ALDH1A1LMNACYP3A4CYP1A2CYP2C9
SCHEMBL11591282 0.86 ALDH1A1 (0.56) ALDH1A1LMNACYP3A4CYP1A2CYP2C9
SCHEMBL7755993 0.85 LMNA (0.55) ALDH1A1LMNACYP3A4CYP1A2CYP2C9
SCHEMBL11591287 0.85 LMNA (0.56) ALDH1A1LMNACYP3A4CYP1A2CYP2C9
SCHEMBL11591517 0.85 LMNA (0.56) ALDH1A1LMNACYP3A4CYP1A2CYP2C9
SCHEMBL11591549 0.85 LMNA (0.56) ALDH1A1LMNACYP3A4CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12441953-B2 Isomer mixtures of unsaturated macrocyclic musk compounds SYMRISE AG (DE) 2025-10-14 US claimed
US-20250302728-A1 FRAGRANCE COMPOSITIONS AND PRODUCTS CONVEYING A POSITIVE MOOD SYMRISE AG (DE) 2025-10-02 US claimed
EP-4623057-A1 ENCAPSULATED FRAGRANCE COMPOSITIONS FOR PROVIDING, MODULATING OR INTENSIFYING A SCENT Symrise AG (DE) 2025-10-01 EP claimed
EP-4615941-A2 SUBSTITUTED 1,3-DIOXOLAN-4-ONES AND 1,3-DIOXAN-4-ONES AS FRAGRANCE INGREDIENTS BASF SE (DE) 2025-09-17 EP claimed
US-12338225-B2 2,2,6-trimethyl-4,5-dihydro-3H-oxepine as aroma ingredient BASF SE (DE) 2025-06-24 US claimed
WO-2025119505-A1 ENCAPSULATED FRAGRANCE COMPOSITIONS FOR PROVIDING, MODULATING OR INTENSIFYING A SCENT SYMRISE AG (DE) 2025-06-12 WO claimed
US-20250129312-A1 CONSUMER PRODUCT COMPOSITIONS WITH PERFUME ENCAPSULATES PROCTER & GAMBLE (US) 2025-04-24 US claimed
EP-4526411-A1 FRAGRANCE COMPOSITIONS AND PRODUCTS CONVEYING A POSITIVE MOOD Symrise AG (DE) 2025-03-26 EP claimed
US-20250092331-A1 COMPOSITIONS COMPRISING 4-ISOPROPYL-1-METHYL-7-OXABICYCLO[2.2.1]HEPTAN-2-OL OR ESTERS OR ETHERS THEREOF AND THEIR USE AS AROMA CHEMICALS BASF SE (DE) 2025-03-20 US claimed
US-12209232-B2 Consumer product compositions with perfume encapsulates THE PROCTER & GAMBLE COMPANY (US) 2025-01-28 US claimed
US-20200283705-A1 CONSUMER PRODUCT COMPOSITIONS WITH PERFUME ENCAPSULATES THE PROCTER & GAMBLE COMPANY 2020-09-10 US claimed
WO-2018145219-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING ADDICTIONS BY MEANS OF AVERSIVE COUNTERCONDITIONING SERANI MOSTAZAL JORGE (CL) 2018-08-16 WO claimed
US-8133856-B2 Cis-3,3,5-trimethylcyclohexyl esters SYMRISE AG (DE) 2012-03-13 US claimed
EP-2072083-B1 Utilisation of 2.4'-dimethyl-propiophenon as an aroma SYMRISE AG (DE) 2012-02-15 EP claimed
EP-1648526-B1 CIS-3,3,5-TRIMETHYLCYCLOHEXYL ESTERS SYMRISE GMBH & CO KG (DE) 2009-09-09 EP claimed
US-20090162308-A1 USE OF 2,4'-DIMETHYLPROPIOPHENONE AS A FRAGRANCE SUBSTANCE SYMRISE GMBH & CO. KG (DE) 2009-06-25 US claimed
US-20060211597-A1 Cis-3,3,5-trimethylcyclohexyl esters SYMRISE AG (DE) 2006-09-21 US claimed
US-20030068295-A1 Odor neutralizers SYMRISE AG (DE) 2003-04-10 US claimed
EP-1239890-A2 ODOR NEUTRALIZERS HAARMANN & REIMER GMBH (DE) 2002-09-18 EP claimed
WO-2001043784-A2 ODOR NEUTRALIZERS HAARMANN & REIMER GMBH (DE) 2001-06-21 WO claimed

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-20090162308-A1 USE OF 2,4'-DIMETHYLPROPIOPHENONE AS A FRAGRANCE SUBSTANCE CYP1B1, CYP4A22, ROS1 ALDH1A1 17/4885LMNA 4524/4885CYP3A4 65/4885
US-20030068295-A1 Odor neutralizers OXER1, OR51E2, OR10J3 ALDH1A1 581/4885LMNA 3855/4885CYP3A4 504/4885
US-12338225-B2 2,2,6-trimethyl-4,5-dihydro-3H-oxepine as aroma ingredient DRD4, HTR5A, HTR4 ALDH1A1 503/4885LMNA 2854/4885CYP3A4 204/4885
US-20250092331-A1 COMPOSITIONS COMPRISING 4-ISOPROPYL-1-METHYL-7-OXABICYCLO[2.2.1]HEPTAN-2-OL OR ESTERS OR ETHERS THEREOF AND THEIR USE AS AROMA CHEMICALS OXER1, MSMO1, IPO7 ALDH1A1 903/4885LMNA 1910/4885CYP3A4 127/4885

“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.