SCHEMBL3290609

SCHEMBL3290609

CCOCC(C)OC(=O)C1CCCCC1C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.40
CTSL P07711 2/20 0.32
CTSB P07858 2/20 0.32
CTSH P09668 2/20 0.32
CTSK P43235 2/20 0.32
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL6401319 0.84 EPHX1 (0.42) EPHX1CTSLCTSBCTSHCTSK
SCHEMBL3345186 0.84 EPHX1 (0.44) EPHX1CTSLCTSBCTSHCTSK
SCHEMBL18532486 0.80 ALDH1A1 (0.42) CTSLCTSBCTSHCTSKALDH1A1
SCHEMBL3288846 0.77 EPHX1 (0.50) EPHX1TAS1R3TAS1R1ALDH1A1SMN1; SMN2
SCHEMBL9945504 0.74 TDP1 (0.49) CTSLCTSBCTSHCTSKHSD17B10
SCHEMBL14472355 0.73 EPHX1 (0.45) EPHX1TAS1R3TAS1R1ALDH1A1HSD17B10
SCHEMBL13869054 0.73 EPHX1 (0.50) EPHX1TAS1R3TAS1R1ALDH1A1
SCHEMBL12894434 0.73 EPHX1 (0.50) EPHX1TAS1R3TAS1R1ALDH1A1
SCHEMBL5513339 0.73 TP53 (0.39) EPHX1CTSLCTSBCTSHCTSK
SCHEMBL13104104 0.73 EPHX1 (0.50) EPHX1TAS1R3TAS1R1ALDH1A1

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 565/4885CTSL 4806/4885CTSB 4753/4885
US-20090131301-A1 METHYL CYCLOHEXANE CARBOXYLATES AND THEIR USE IN PERFUME COMPOSITIONS C5, OR51E2, OXER1 EPHX1 565/4885CTSL 4806/4885CTSB 4753/4885

“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.