SCHEMBL5897025

SCHEMBL5897025

Cc1ccc(P(c2ccc(C)cc2)c2cc(C)c(Cl)c(C)c2-c2c(P(c3ccc(C)cc3)c3ccc(C)cc3)cc(C)c(Cl)c2C)cc1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 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
SCHEMBL5896833 0.86 CYP3A4 (0.38) MAPTALDH1A1GAA
SCHEMBL5897034 0.85 AKT1 (0.33) MAPTALDH1A1GAA
SCHEMBL7030626 0.78 GAA (0.39) MAPTALDH1A1GAA
SCHEMBL5897164 0.75
SCHEMBL19009972 0.75 HSD11B1 (0.30)
SCHEMBL29597288 0.68 CYP3A4 (0.42) MAPTALDH1A1GAA
SCHEMBL12446368 0.68 CYP3A4 (0.42) MAPTALDH1A1GAA
SCHEMBL14337705 0.68 CYP19A1 (0.31)
SCHEMBL14687494 0.67
SCHEMBL14337719 0.67

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 27 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
US-9796678-B2 Method for manufacturing optically active compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-24 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-20170022162-A1 METHOD FOR MANUFACTURING OPTICALLY ACTIVE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-01-26 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
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 (8 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-10029969-B2 Method of producing optically-active aldehyde ALDH3A1, ALDH1A2, ADH1A MAPT 2762/4885ALDH1A1 6/4885GAA 530/4885
US-10294193-B2 Compound, and flavor composition and/or fragrance composition containing same FZD7, TAS1R1, TAS2R5 MAPT 711/4885ALDH1A1 83/4885GAA 2768/4885
US-20030105341-A1 Process for producing optically active gamma-butyrolactone HSD17B10, HSD17B1, HSD17B12 MAPT 2971/4885ALDH1A1 77/4885GAA 1376/4885
US-20020007094-A1 Method for producing 1-menthol HRH4, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PHOSPHO1 MAPT 2535/4885ALDH1A1 1768/4885GAA 3929/4885
US-20170022162-A1 METHOD FOR MANUFACTURING OPTICALLY ACTIVE COMPOUND C9, C5, PRMT7 MAPT 4512/4885ALDH1A1 296/4885GAA 1195/4885
US-20170088503-A1 NOVEL COMPOUND, AND FLAVOR COMPOSITION AND/OR FRAGRANCE COMPOSITION CONTAINING SAME FZD7, TAS2R5, TAS2R40 MAPT 751/4885ALDH1A1 122/4885GAA 3022/4885
US-20040063999-A1 Process for the production of optically active amino alcohols ADH1C, ADH1A, ADH5 MAPT 884/4885ALDH1A1 22/4885GAA 3298/4885
US-20160152550-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 2,3-DIHYDROFARNESAL FNTB, FNTA, LSS MAPT 3669/4885ALDH1A1 489/4885GAA 949/4885

“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.