SCHEMBL3290940

SCHEMBL3290940

CCOCCOC(=O)C1CCCCC1C

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
TSHR P16473 1/20 0.44
THRB P10828 1/20 0.43
EPHX1 P07099 1/20 0.43
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
NAAA Q02083 1/20 0.33
POLB P06746 2/20 0.33
KDM4E B2RXH2 1/20 0.33
EPHX2 P34913 1/20 0.32
LIPE Q05469 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
SCHEMBL4108641 0.92 EPHX1 (0.42) ALDH1A1TSHRTHRBEPHX1TP53
SCHEMBL6409819 0.89 EPHX1 (0.52) ALDH1A1EPHX1TP53CYP3A4POLB
SCHEMBL18499673 0.89 EPHX1 (0.42) ALDH1A1TSHRTHRBEPHX1TP53
SCHEMBL9945518 0.88 ALDH1A1 (0.48) ALDH1A1TSHRTHRBTP53CYP3A4
SCHEMBL9945509 0.88 ALDH1A1 (0.48) ALDH1A1TSHRTHRBTP53CYP3A4
SCHEMBL3412445 0.84 EPHX1 (0.47) ALDH1A1EPHX1TP53CYP3A4NAAA
SCHEMBL3289323 0.84 EPHX1 (0.47) ALDH1A1EPHX1TP53CYP3A4NAAA
SCHEMBL13869054 0.84 EPHX1 (0.50) ALDH1A1THRBEPHX1TP53CYP3A4
SCHEMBL13007344 0.84 EPHX1 (0.50) ALDH1A1THRBEPHX1TP53CYP3A4
SCHEMBL12894434 0.84 EPHX1 (0.50) ALDH1A1THRBEPHX1TP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111349185-B Solid catalyst for propylene polymerization and method for producing block copolymer using the same 韩华道达尔能源有限公司 2023-02-03 CN disclosed
US-11427657-B2 Solid catalyst for propylene polymerization and method of producing block copolymer using the same HANWHA TOTAL PETROCHEMICAL CO., LTD. (KR) 2022-08-30 US disclosed
CN-111349185-A Solid catalyst for propylene polymerization and method for producing block copolymer using the same 韩华道达尔有限公司 2020-06-30 CN disclosed
US-20200199266-A1 Solid Catalyst For Propylene Polymerization And Method Of Producing Block Copolymer Using The Same HANWHA TOTALENERGIES PETROCHEMICAL CO., LTD. (KR) 2020-06-25 US disclosed
EP-3670546-A1 SOLID CATALYST FOR PROPYLENE POLYMERIZATION AND METHOD OF PRODUCING BLOCK COPOLYMER USING THE SAME Hanwha Total Petrochemical Co., Ltd. (KR) 2020-06-24 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 ALDH1A1 1268/4885TSHR 4579/4885THRB 3718/4885
US-20090131301-A1 METHYL CYCLOHEXANE CARBOXYLATES AND THEIR USE IN PERFUME COMPOSITIONS C5, OR51E2, OXER1 ALDH1A1 1268/4885TSHR 4579/4885THRB 3718/4885

“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.