SCHEMBL3345186

SCHEMBL3345186

CCC(C)OC(=O)C1CCCCC1C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.44
CTSK P43235 5/20 0.34
CTSL P07711 3/20 0.34
CTSB P07858 3/20 0.34
CTSH P09668 2/20 0.34
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
TAS1R3 Q7RTX0 2/20 0.31
TAS1R1 Q7RTX1 2/20 0.31
TDP1 Q9NUW8 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
SCN1A P35498 1/20 0.30
SCN2A Q99250 1/20 0.30
SCN3A Q9NY46 1/20 0.30

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
SCHEMBL5513339 0.89 TP53 (0.39) EPHX1CTSKCTSLCTSBCTSH
SCHEMBL5516992 0.85 KMT2A (0.33) EPHX1SMN1; SMN2
SCHEMBL3290609 0.84 EPHX1 (0.40) EPHX1CTSKCTSLCTSBCTSH
SCHEMBL6401319 0.83 EPHX1 (0.42) EPHX1CTSKCTSLCTSBCTSH
SCHEMBL5514791 0.83 TAAR1 (0.38)
SCHEMBL3288846 0.82 EPHX1 (0.50) EPHX1LMNASMN1; SMN2TP53CYP3A4
SCHEMBL14341537 0.80 CTSK (0.33) EPHX1CTSKCTSLCTSBCTSH
SCHEMBL21097363 0.79 MAPT (0.31) CYP3A4TDP1
SCHEMBL21097362 0.79 MAPT (0.31) CYP3A4TDP1
SCHEMBL5523476 0.79 EPHX1 (0.42) EPHX1CTSKCTSLCTSBCTSH

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2070512-B1 Methyl cyclohexane carboxylates and their use in perfume compositons INT FLAVORS & FRAGRANCES INC (US) 2012-10-31 EP disclosed
EP-2070512-B1 Methyl cyclohexane carboxylates and their use in perfume compositons INT FLAVORS & FRAGRANCES INC (US) 2012-10-31 EP disclosed
US-7723277-B2 Methyl cyclohexane carboxylates and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2010-05-25 US disclosed
US-7723277-B2 Methyl cyclohexane carboxylates and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2010-05-25 US disclosed
US-7723277-B2 Methyl cyclohexane carboxylates and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2010-05-25 US disclosed
US-20090326079-A1 METHYL CYCLOHEXANE CARBOXYLATES AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2009-12-31 US disclosed
US-20090326079-A1 METHYL CYCLOHEXANE CARBOXYLATES AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2009-12-31 US disclosed
US-20090326079-A1 METHYL CYCLOHEXANE CARBOXYLATES AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2009-12-31 US disclosed
US-7632792-B2 Methyl cyclohexane carboxylates and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2009-12-15 US disclosed
US-7632792-B2 Methyl cyclohexane carboxylates and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2009-12-15 US disclosed
US-7632792-B2 Methyl cyclohexane carboxylates and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2009-12-15 US disclosed
EP-2070512-A1 Methyl cyclohexane carboxylates and their use in perfume compositons INTERNATIONAL FLAVORS & FRAGRANCES, INC. (US) 2009-06-17 EP disclosed
EP-2070512-A1 Methyl cyclohexane carboxylates and their use in perfume compositons INTERNATIONAL FLAVORS & FRAGRANCES, INC. (US) 2009-06-17 EP disclosed
US-20090131301-A1 METHYL CYCLOHEXANE CARBOXYLATES AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2009-05-21 US disclosed
US-20090131301-A1 METHYL CYCLOHEXANE CARBOXYLATES AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2009-05-21 US disclosed
US-20090131301-A1 METHYL CYCLOHEXANE CARBOXYLATES AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2009-05-21 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 (2 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-20090326079-A1 METHYL CYCLOHEXANE CARBOXYLATES AND THEIR USE IN PERFUME COMPOSITIONS C5, OR51E2, OXER1 EPHX1 565/4885CTSK 4476/4885CTSL 4806/4885
US-20090131301-A1 METHYL CYCLOHEXANE CARBOXYLATES AND THEIR USE IN PERFUME COMPOSITIONS C5, OR51E2, OXER1 EPHX1 565/4885CTSK 4476/4885CTSL 4806/4885

“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.