SCHEMBL273539

SCHEMBL273539

CC(=O)O[C@@H]1C[C@H](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
SCHEMBL273538 1.00 ALDH1A1 (0.55) ALDH1A1LMNACYP3A4CYP1A2CYP2C9
SCHEMBL273013 1.00 ALDH1A1 (0.55) ALDH1A1LMNACYP3A4CYP1A2CYP2C9
SCHEMBL112071 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1648526-B1 CIS-3,3,5-TRIMETHYLCYCLOHEXYL ESTERS SYMRISE GMBH & CO KG (DE) 2009-09-09 EP claimed
US-20060211597-A1 Cis-3,3,5-trimethylcyclohexyl esters SYMRISE AG (DE) 2006-09-21 US claimed
CN-115657421-A Curable resin composition, cured film, and display device 住友化学株式会社 2023-01-31 CN disclosed
CN-110475818-B Polymers and compositions 住友化学株式会社 2022-06-03 CN disclosed
EP-2424829-B1 OMEGA-CYCLOHEXYLALKAN-1-OLES AND USE THEREOF AS ANTIMICROBIAL ACTIVES TO COMBAT BODY ODOR SYMRISE AG (DE) 2015-01-07 EP disclosed
US-8623340-B2 Omega-cyclohexylalkan-1-oles and use thereof as antimicrobial actives to combat body odor SYMRISE AG (DE) 2014-01-07 US disclosed
US-20120107258-A1 OMEGA-CYCLOHEXYLALKAN-1-OLES AND USE THEREOF AS ANTIMICROBIAL ACTIVES TO COMBAT BODY ODOR SYMRISE AG (DE) 2012-05-03 US disclosed
US-8133856-B2 Cis-3,3,5-trimethylcyclohexyl esters SYMRISE AG (DE) 2012-03-13 US disclosed
US-20060211597-A1 Cis-3,3,5-trimethylcyclohexyl esters SYMRISE AG (DE) 2006-09-21 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 (1 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-20120107258-A1 OMEGA-CYCLOHEXYLALKAN-1-OLES AND USE THEREOF AS ANTIMICROBIAL ACTIVES TO COMBAT BODY ODOR ALOX12, ALOX15, ALOX15B ALDH1A1 123/4885LMNA 3689/4885CYP3A4 533/4885

“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.