SCHEMBL5897686

SCHEMBL5897686

COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2ccc3c(c2-c2c(P(c4cc(C)c(OC)c(C)c4)c4cc(C)c(OC)c(C)c4)ccc4c2CCCC4)CCCC3)cc1C

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CES1 P23141 5/20 0.38
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33

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
SCHEMBL31438411 0.83 MEN1 (0.43) CES1MEN1KMT2A
SCHEMBL1044167 0.83 MEN1 (0.43) CES1MEN1KMT2A
SCHEMBL2011321 0.79 ALDH1A1 (0.35) CES1
SCHEMBL1040530 0.77 CES1 (0.40) CES1MEN1KMT2A
SCHEMBL1042360 0.77 CES1 (0.37) CES1MEN1KMT2A
SCHEMBL31566360 0.77 CES1 (0.37) CES1MEN1KMT2A
SCHEMBL26550837 0.74 DRD1 (0.38) CES1
SCHEMBL29424782 0.73 DRD1 (0.39) CES1
SCHEMBL665033 0.73 DRD1 (0.39) CES1
SCHEMBL29924184 0.73 DRD1 (0.39) CES1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10294193-B2 Compound, and flavor composition and/or fragrance composition containing same TAKASAGO INTERNATIONAL CORPORATION (JP) 2019-05-21 US disclosed
EP-2966054-B1 METHOD OF PRODUCING OPTICALLY-ACTIVE ALDEHYDE TAKASAGO PERFUMERY CO LTD (JP) 2019-01-02 EP disclosed
US-10029969-B2 Method of producing optically-active aldehyde TAKASAGO INTERNATIONAL CORPORATION (JP) 2018-07-24 US disclosed
EP-3153492-A1 NOVEL COMPOUND AND FRAGRANCE COMPOSITION CONTAINING SAME Takasago International Corporation (JP) 2017-04-12 EP disclosed
US-20170088503-A1 NOVEL COMPOUND, AND FLAVOR COMPOSITION AND/OR FRAGRANCE COMPOSITION CONTAINING SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2017-03-30 US disclosed
US-20160152550-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 2,3-DIHYDROFARNESAL TAKASAGO INTERNATIONAL CORPORATION (JP) 2016-06-02 US disclosed
US-9284246-B2 Method for producing optically active 2,3-dihydrofarnesal TAKASAGO INTERNATIONAL CORPORATION (JP) 2016-03-15 US disclosed
EP-2966054-A1 METHOD OF PRODUCING OPTICALLY-ACTIVE ALDEHYDE Takasago International Corporation (JP) 2016-01-13 EP disclosed
US-20150376102-A1 METHOD OF PRODUCING OPTICALLY-ACTIVE ALDEHYDE TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-12-31 US disclosed
US-20150329452-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ISOPULEGOL AND OPTICALLY ACTIVE MENTHOL TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-11-19 US disclosed
EP-1277748-B1 Process for producing optically active y-Butyrolactone TAKASAGO PERFUMERY CO LTD (JP) 2004-04-21 EP disclosed
US-20040063999-A1 Process for the production of optically active amino alcohols TAKASAGO INTERNATIONAL CORPORATION (JP) 2004-04-01 US disclosed
EP-1403262-A1 Process for producing optically active alpha butyrolactone Takasago International Corporation (JP) 2004-03-31 EP disclosed
EP-1398310-A1 Process for the production of optically active amino alcohols Takasago International Corporation (JP) 2004-03-17 EP disclosed
US-6608214-B2 Hydrogenating optically active 4-substituted oxy-3-hydroxy-butyrate followed by simultaneous deprotection and ring closure; economic and efficient synthesis TAKASAGO INTERNATIONAL CORPORATION (JP) 2003-08-19 US disclosed
US-20030105341-A1 Process for producing optically active gamma-butyrolactone TAKASAGO INTERNATIONAL CORPORATION (JP) 2003-06-05 US disclosed
EP-1277748-A1 Process for producing optically active y-Butyrolactone Takasago International Corporation (JP) 2003-01-22 EP disclosed
US-6342644-B1 MULTISTAGE PROCESS OF HYDROGENATION WITH PHOSPHINE COMPLEX TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-01-29 US disclosed
US-20020007094-A1 Method for producing 1-menthol TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-01-17 US disclosed
EP-1153908-A2 Method for producing 1-menthol Takasago International Corporation (JP) 2001-11-14 EP 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 (9 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-20150329452-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ISOPULEGOL AND OPTICALLY ACTIVE MENTHOL ACSL3, ACSL6, ALOX5 CES1 2110/4885MEN1 481/4885KMT2A 2214/4885
US-10029969-B2 Method of producing optically-active aldehyde ALDH3A1, ALDH1A2, ADH1A CES1 574/4885MEN1 3945/4885KMT2A 3097/4885
US-10294193-B2 Compound, and flavor composition and/or fragrance composition containing same FZD7, TAS1R1, TAS2R5 CES1 1911/4885MEN1 1763/4885KMT2A 994/4885
US-20030105341-A1 Process for producing optically active gamma-butyrolactone HSD17B10, HSD17B1, HSD17B12 CES1 155/4885MEN1 2881/4885KMT2A 3056/4885
US-20020007094-A1 Method for producing 1-menthol HRH4, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PHOSPHO1 CES1 2700/4885MEN1 570/4885KMT2A 3335/4885
US-20170088503-A1 NOVEL COMPOUND, AND FLAVOR COMPOSITION AND/OR FRAGRANCE COMPOSITION CONTAINING SAME FZD7, TAS2R5, TAS2R40 CES1 2157/4885MEN1 2404/4885KMT2A 900/4885
US-20040063999-A1 Process for the production of optically active amino alcohols ADH1C, ADH1A, ADH5 CES1 693/4885MEN1 3617/4885KMT2A 728/4885
US-20160152550-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 2,3-DIHYDROFARNESAL FNTB, FNTA, LSS CES1 601/4885MEN1 939/4885KMT2A 4528/4885
US-20150376102-A1 METHOD OF PRODUCING OPTICALLY-ACTIVE ALDEHYDE ALDH3A1, ALDH1A2, ADH1A CES1 574/4885MEN1 3945/4885KMT2A 3097/4885

“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.