SCHEMBL5897034

SCHEMBL5897034

Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2cc(C)c(Cl)c(C)c2-c2c(P(c3cc(C)cc(C)c3)c3cc(C)cc(C)c3)cc(C)c(Cl)c2C)c1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.33
RAPGEF4 Q8WZA2 3/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
CYP3A4 P08684 1/20 0.31
CHRM1 P11229 1/20 0.31
ALOX15 P16050 1/20 0.31
MAOA P21397 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 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
SCHEMBL5897025 0.85 MAPT (0.32) ALDH1A1GAAMAPT
SCHEMBL14687494 0.82
SCHEMBL5896833 0.81 CYP3A4 (0.38) ALDH1A1GAAMAPTCYP3A4
SCHEMBL5897164 0.81
SCHEMBL1224812 0.74 ACHE (0.36) ALDH1A1
SCHEMBL7030626 0.74 GAA (0.39) AKT1ALDH1A1GAAMAPTCYP3A4
SCHEMBL6408114 0.73 RAPGEF4 (0.33) RAPGEF4ALDH1A1
SCHEMBL19009972 0.71 HSD11B1 (0.30) RAPGEF4
SCHEMBL14688051 0.68 CYP1A2 (0.42) ALDH1A1ALOX15
SCHEMBL14688271 0.66 MAPT (0.36) ALDH1A1MAPT

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 39 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-9896402-B2 Method for preventing decrease in optical purity TAKASAGO INTERNATIONAL CORPORATION (JP) 2018-02-20 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
EP-2774908-B1 METHOD FOR PREVENTING DECREASE IN OPTICAL PURITY TAKASAGO PERFUMERY CO LTD (JP) 2017-02-08 EP 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
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 AKT1 3546/4885RAPGEF4 1836/4885ALDH1A1 6/4885
US-10294193-B2 Compound, and flavor composition and/or fragrance composition containing same FZD7, TAS1R1, TAS2R5 AKT1 2516/4885RAPGEF4 4845/4885ALDH1A1 83/4885
US-20030105341-A1 Process for producing optically active gamma-butyrolactone HSD17B10, HSD17B1, HSD17B12 AKT1 1884/4885RAPGEF4 4095/4885ALDH1A1 77/4885
US-20020007094-A1 Method for producing 1-menthol HRH4, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PHOSPHO1 AKT1 3575/4885RAPGEF4 492/4885ALDH1A1 1768/4885
US-20170022162-A1 METHOD FOR MANUFACTURING OPTICALLY ACTIVE COMPOUND C9, C5, PRMT7 AKT1 1038/4885RAPGEF4 2770/4885ALDH1A1 296/4885
US-20170088503-A1 NOVEL COMPOUND, AND FLAVOR COMPOSITION AND/OR FRAGRANCE COMPOSITION CONTAINING SAME FZD7, TAS2R5, TAS2R40 AKT1 2698/4885RAPGEF4 4798/4885ALDH1A1 122/4885
US-20040063999-A1 Process for the production of optically active amino alcohols ADH1C, ADH1A, ADH5 AKT1 403/4885RAPGEF4 1030/4885ALDH1A1 22/4885
US-20160152550-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 2,3-DIHYDROFARNESAL FNTB, FNTA, LSS AKT1 307/4885RAPGEF4 449/4885ALDH1A1 489/4885

“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.