SCHEMBL6250159

SCHEMBL6250159

Cc1cc(Pc2cccc(C)c2-c2c(C)cccc2Pc2cc(C)c(OC(C)(C)C)c(C)c2)cc(C)c1OC(C)(C)C

nearest known ligand 0.30

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 3/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 1/20 0.30
KCNK3 O14649 1/20 0.30
CACNA1F O60840 1/20 0.30
KCNK2 O95069 1/20 0.30
GBA1 P04062 1/20 0.30
MAOA P21397 1/20 0.30
HTR2A P28223 1/20 0.30
SLC6A4 P31645 1/20 0.30
SCN1A P35498 1/20 0.30
HTR2B P41595 1/20 0.30
SCN7A Q01118 1/20 0.30
CACNA1D Q01668 1/20 0.30
KCNH2 Q12809 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
SCHEMBL6251006 0.85 KCNB1 (0.33) LMNATSHR
SCHEMBL6253641 0.82 KDM4E (0.32) TSHR
SCHEMBL20021636 0.76 TNFRSF1A (0.35) TSHRSCN2A
SCHEMBL16170099 0.73 SCN4A (0.43) SCN4ALMNACYP1A2CYP3A4CYP2D6
SCHEMBL6249726 0.70 POLB (0.38) LMNATSHR
SCHEMBL6250739 0.69 SCN4A (0.30) SCN4ALMNACYP1A2CYP3A4CYP2D6
SCHEMBL31566364 0.67 ACHE (0.41)
SCHEMBL19047018 0.65 MAPT (0.37) LMNACYP1A2CYP2C9
SCHEMBL27122563 0.65 CYP1A2 (0.38) CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL14297099 0.64 CNR1 (0.35)

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 24 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-2894143-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 2,3-DIHYDROFARNESAL Takasago International Corporation (JP) 2015-07-15 EP disclosed
EP-1153908-B1 Method for producing 1-menthol TAKASAGO PERFUMERY CO LTD (JP) 2005-08-24 EP disclosed
EP-1277748-B1 Process for producing optically active y-Butyrolactone TAKASAGO PERFUMERY CO LTD (JP) 2004-04-21 EP disclosed
EP-1403262-A1 Process for producing optically active alpha butyrolactone Takasago International Corporation (JP) 2004-03-31 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 (7 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 SCN4A 4189/4885LMNA 4187/4885CYP1A2 59/4885
US-10294193-B2 Compound, and flavor composition and/or fragrance composition containing same FZD7, TAS1R1, TAS2R5 SCN4A 1743/4885LMNA 3405/4885CYP1A2 1099/4885
US-20030105341-A1 Process for producing optically active gamma-butyrolactone HSD17B10, HSD17B1, HSD17B12 SCN4A 1386/4885LMNA 3152/4885CYP1A2 141/4885
US-20020007094-A1 Method for producing 1-menthol HRH4, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PHOSPHO1 SCN4A 2450/4885LMNA 3554/4885CYP1A2 1847/4885
US-20170022162-A1 METHOD FOR MANUFACTURING OPTICALLY ACTIVE COMPOUND C9, C5, PRMT7 SCN4A 1405/4885LMNA 3744/4885CYP1A2 90/4885
US-20170088503-A1 NOVEL COMPOUND, AND FLAVOR COMPOSITION AND/OR FRAGRANCE COMPOSITION CONTAINING SAME FZD7, TAS2R5, TAS2R40 SCN4A 1646/4885LMNA 3727/4885CYP1A2 1250/4885
US-20160152550-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 2,3-DIHYDROFARNESAL FNTB, FNTA, LSS SCN4A 1165/4885LMNA 53/4885CYP1A2 405/4885

“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.