SCHEMBL3290514

SCHEMBL3290514

C=CCOC(=O)C1CCCCC1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.44
ALDH1A1 P00352 3/20 0.39
GAA P10253 3/20 0.39
CYP3A4 P08684 2/20 0.39
TP53 P04637 2/20 0.39
TSHR P16473 4/20 0.36
POLB P06746 2/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
MAPT P10636 3/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CASP1 P29466 1/20 0.32
RECQL P46063 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31
KMT2A Q03164 2/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL987648 0.87 CYP3A4 (0.48) ALDH1A1GAACYP3A4TP53TSHR
SCHEMBL12440412 0.85 TSHR (0.34) EPHX1ALDH1A1GAACYP3A4TP53
SCHEMBL29108682 0.83 ALDH1A1 (0.42) ALDH1A1GAACYP3A4TP53TSHR
SCHEMBL4799127 0.82 POLB (0.40) ALDH1A1GAACYP3A4TP53TSHR
SCHEMBL13328178 0.81 EPHX1 (0.43) EPHX1ALDH1A1CYP3A4TP53POLB
SCHEMBL1220674 0.81 TP53 (0.43) ALDH1A1GAACYP3A4TP53TSHR
SCHEMBL7174663 0.80 ALDH1A1 (0.33) EPHX1ALDH1A1GAATSHRPOLB
SCHEMBL6409819 0.80 EPHX1 (0.52) EPHX1ALDH1A1CYP3A4TP53POLB
SCHEMBL9769692 0.79 CYP3A4 (0.42) ALDH1A1GAACYP3A4TP53TSHR
SCHEMBL13289943 0.79 TSHR (0.46) EPHX1ALDH1A1CYP3A4TP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9362595-B2 Nonaqueous electrolytic solution and energy storage device using same UBE INDUSTRIES, LTD. (JP) 2016-06-07 US disclosed
US-20140030609-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND ENERGY STORAGE DEVICE USING SAME UBE INDUSTRIES, LTD. (JP) 2014-01-30 US disclosed
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 565/4885ALDH1A1 1268/4885GAA 4804/4885
US-20090131301-A1 METHYL CYCLOHEXANE CARBOXYLATES AND THEIR USE IN PERFUME COMPOSITIONS C5, OR51E2, OXER1 EPHX1 565/4885ALDH1A1 1268/4885GAA 4804/4885

“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.