SCHEMBL272391

SCHEMBL272391

CC1CC(OC(=O)C(C)C)CC(C)(C)C1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.59
▸ NR1I2 O75469 1/20 0.59
▸ ABCB11 O95342 1/20 0.59
▸ ALDH1A1 P00352 4/20 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
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ CTDSP1 Q9GZU7 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ APLNR P35414 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ PPP1CA P62136 1/20 0.31
▸ PPARG P37231 2/20 0.31
▸ TDP1 Q9NUW8 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
SCHEMBL273324 1.00 LMNA (0.59) LMNANR1I2ABCB11ALDH1A1CYP3A4
SCHEMBL273323 1.00 LMNA (0.59) LMNANR1I2ABCB11ALDH1A1CYP3A4
Ciclactate SCHEMBL2111243 0.88 LMNA (0.62) LMNANR1I2ABCB11ALDH1A1CYP3A4
SCHEMBL26822918 0.85 LMNA (0.42) LMNANR1I2ABCB11ALDH1A1CYP3A4
SCHEMBL17639951 0.84 LMNA (0.54) LMNANR1I2ABCB11ALDH1A1CYP3A4
SCHEMBL19185119 0.82 LMNA (0.56) LMNANR1I2ABCB11ALDH1A1CYP3A4
SCHEMBL9594198 0.82 LMNA (0.59) LMNANR1I2ABCB11ALDH1A1CYP3A4
SCHEMBL11591288 0.82 ALDH1A1 (0.56) LMNANR1I2ABCB11ALDH1A1CYP3A4
SCHEMBL11591282 0.82 ALDH1A1 (0.56) LMNANR1I2ABCB11ALDH1A1CYP3A4
SCHEMBL10883498 0.82 LMNA (0.52) LMNANR1I2ABCB11ALDH1A1CYP3A4

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 14 patents. 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
CN-113167695-A Device for collecting volatile organic compounds 法国由内政部代表 2021-07-23 — — CN disclosed
WO-2017071793-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2017-05-04 — — WO disclosed
US-8133856-B2 Cis-3,3,5-trimethylcyclohexyl esters SYMRISE AG (DE) 2012-03-13 — — 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
US-5310757-A Hypolipemic, hypocholesterol PANMEDICA (FR) 1994-05-10 — — US disclosed
US-5310757-A Hypolipemic, hypocholesterol PANMEDICA (FR) 1994-05-10 — — 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-20030068295-A1 Odor neutralizers OXER1, OR51E2, OR10J3 LMNA 3855/4885NR1I2 425/4885ABCB11 3598/4885

“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.

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