SCHEMBL272452

SCHEMBL272452

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
LMNA P02545 3/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
NR1I2 O75469 1/20 0.49
ABCB11 O95342 1/20 0.49
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.38
PPP1CA P62136 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
CYP19A1 P11511 1/20 0.33
APLNR P35414 1/20 0.31

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
SCHEMBL272450 1.00 ALDH1A1 (0.51) ALDH1A1LMNACYP3A4CYP2C9CYP1A2
SCHEMBL28631478 1.00 ALDH1A1 (0.51) ALDH1A1LMNACYP3A4CYP2C9CYP1A2
SCHEMBL272451 1.00 ALDH1A1 (0.51) ALDH1A1LMNACYP3A4CYP2C9CYP1A2
SCHEMBL25394769 0.88 ALDH1A1 (0.52) ALDH1A1LMNACYP3A4CYP2C9CYP1A2
SCHEMBL272721 0.87 ALDH1A1 (0.49) ALDH1A1LMNACYP3A4CYP2C9CYP1A2
SCHEMBL272720 0.87 ALDH1A1 (0.49) ALDH1A1LMNACYP3A4CYP2C9CYP1A2
SCHEMBL272722 0.87 ALDH1A1 (0.49) ALDH1A1LMNACYP3A4CYP2C9CYP1A2
SCHEMBL10814578 0.85 LMNA (0.50) ALDH1A1LMNACYP3A4CYP2C9CYP1A2
SCHEMBL10664320 0.83 ALDH1A1 (0.49) ALDH1A1LMNACYP3A4CYP2C9CYP1A2
SCHEMBL25394771 0.82 LMNA (0.49) ALDH1A1LMNACYP3A4CYP2C9CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8133856-B2 Cis-3,3,5-trimethylcyclohexyl esters SYMRISE AG (DE) 2012-03-13 US claimed
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
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
CN-113387829-A Preparation method of shakubiqu 凯特立斯(深圳)科技有限公司 2021-09-14 CN disclosed
EP-3661567-A1 SCENT SWITCH DEVICE Symrise AG (DE) 2020-06-10 EP disclosed
US-20200171194-A1 SCENT SWITCH DEVICE SYMRISE AG (DE) 2020-06-04 US disclosed
WO-2019025007-A1 SCENT SWITCH DEVICE SYMRISE AG (DE) 2019-02-07 WO disclosed
US-20130010403-A1 ELECTROLYTIC MATERIAL FORMULATION, ELECTROLYTIC MATERIAL COMPOSITION FORMED THEREFROM AND USE THEREOF Gemmy Electronic Co., Ltd. 2013-01-10 US disclosed
US-20130010403-A1 ELECTROLYTIC MATERIAL FORMULATION, ELECTROLYTIC MATERIAL COMPOSITION FORMED THEREFROM AND USE THEREOF Gemmy Electronic Co., Ltd. 2013-01-10 US disclosed
US-8133856-B2 Cis-3,3,5-trimethylcyclohexyl esters SYMRISE AG (DE) 2012-03-13 US disclosed
US-20100111889-A1 Malodor Control System PROCTER & GAMBLE COMPANY, THE 2010-05-06 US disclosed
US-7157411-B2 Odor neutralizers SYMRISE GMBH & CO. KG (DE) 2007-01-02 US disclosed
US-20060211597-A1 Cis-3,3,5-trimethylcyclohexyl esters SYMRISE AG (DE) 2006-09-21 US disclosed
EP-1239890-B1 ODOR NEUTRALIZERS SYMRISE GMBH & CO KG (DE) 2004-11-10 EP disclosed
US-20030068295-A1 Odor neutralizers SYMRISE AG (DE) 2003-04-10 US disclosed
EP-1239890-A2 ODOR NEUTRALIZERS HAARMANN & REIMER GMBH (DE) 2002-09-18 EP disclosed
WO-2001043784-A2 ODOR NEUTRALIZERS HAARMANN & REIMER GMBH (DE) 2001-06-21 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 (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-20030068295-A1 Odor neutralizers OXER1, OR51E2, OR10J3 ALDH1A1 581/4885LMNA 3855/4885CYP3A4 504/4885

“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.