SCHEMBL164194

SCHEMBL164194

c1ccc2c(-c3c(P(C4CCCC4)C4CCCC4)ccc4ccccc34)c(P(C3CCCC3)C3CCCC3)ccc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 3/20 0.38
CYP2A6 P11509 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
DNMT1 P26358 1/20 0.37
HPRT1 P00492 1/20 0.35
MAPT P10636 2/20 0.35
HIF1A Q16665 2/20 0.35
MPI P34949 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
WDR5 P61964 1/20 0.34
CYP1B1 Q16678 2/20 0.33
SALL4 Q9UJQ4 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32

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
SCHEMBL31566355 1.00 ALDH1A1 (0.38) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL30391805 0.98 ALDH1A1 (0.37) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL160594 0.98 ALDH1A1 (0.37) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL16811762 0.89 CYP1A2 (0.39) ALDH1A1HSD17B10CYP2A6TSHRDNMT1
SCHEMBL9350829 0.89 DNMT1 (0.39) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL7544297 0.88 ALDH1A1 (0.35) ALDH1A1HSD17B10DNMT1MAPTHIF1A
SCHEMBL5608737 0.88 DNMT1 (0.38) ALDH1A1HSD17B10DNMT1MAPTHIF1A
SCHEMBL4552955 0.86 ALDH1A1 (0.33) ALDH1A1HSD17B10MAPTHIF1AMPI
SCHEMBL17758852 0.86 ALDH1A1 (0.33) ALDH1A1HSD17B10MAPTHIF1AMPI
SCHEMBL1365289 0.86 MAPT (0.58) 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 123 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1650207-B1 Process for producing optically active 3-quinuclidinols TAKASAGO PERFUMERY CO LTD (JP) 2007-06-27 EP claimed
EP-0466405-B1 2,2'-Bis(dicyclopenthylphosphino)-1-1'-binaphthyl and metal complexes thereof TAKASAGO PERFUMERY CO LTD (JP) 1995-02-22 EP claimed
US-5312939-A 2,2'-bis (dicyclopentylphosphino)-1,1'-binaphthyl and transition metal complex using the same as ligand TAKASAGO INTERNATIONAL CORPORATION (JP) 1994-05-17 US claimed
EP-0466405-A1 2,2'-Bis(dicyclopenthylphosphino)-1-1'-binaphthyl and metal complexes thereof Takasago International Corporation (JP) 1992-01-15 EP claimed
JP-4074192-A None JP disclosed
US-20220169600-A1 METHOD FOR PRODUCING PKROSTAGLANDIN KYOWA PHARMA CHEMICAL CO., LTD. (JP) 2022-06-02 US disclosed
EP-3950672-A1 METHOD FOR PRODUCING PKROSTAGLANDIN Kyowa Pharma Chemical Co., Ltd. (JP) 2022-02-09 EP disclosed
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-0466405-B1 2,2'-Bis(dicyclopenthylphosphino)-1-1'-binaphthyl and metal complexes thereof TAKASAGO PERFUMERY CO LTD (JP) 1995-02-22 EP disclosed
US-5312939-A 2,2'-bis (dicyclopentylphosphino)-1,1'-binaphthyl and transition metal complex using the same as ligand TAKASAGO INTERNATIONAL CORPORATION (JP) 1994-05-17 US disclosed
US-5312939-A 2,2'-bis (dicyclopentylphosphino)-1,1'-binaphthyl and transition metal complex using the same as ligand TAKASAGO INTERNATIONAL CORPORATION (JP) 1994-05-17 US disclosed
US-5306834-A Catalytic hydrogenation of 4-methylene-2-oxetanone TAKASAGO INTERNATIONAL CORPORATION (JP) 1994-04-26 US disclosed
EP-0580336-A1 Process for preparing optically active 4-methyl-2-oxetanone TAKASAGO INTERNATIONAL CORPORATION (JP) 1994-01-26 EP disclosed
JP-H0474192-A 2,2'-BIS(DICYCLOPENTYLPHOSPHINO)-1,1'-BINAPHTHYL AND TRANSITION METAL COMPLEX COMPRISING THE SAME COMPOUND AS LIGAND TAKASAGO INTERNATL CORP 1992-03-09 JP disclosed
EP-0466405-A1 2,2'-Bis(dicyclopenthylphosphino)-1-1'-binaphthyl and metal complexes thereof Takasago International Corporation (JP) 1992-01-15 EP disclosed
EP-0466405-A1 2,2'-Bis(dicyclopenthylphosphino)-1-1'-binaphthyl and metal complexes thereof Takasago International Corporation (JP) 1992-01-15 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 (3 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-20220169600-A1 METHOD FOR PRODUCING PKROSTAGLANDIN PTGS1, PTGER1, RACK1 ALDH1A1 1425/4885HSD17B10 894/4885CYP2A6 275/4885
US-10029969-B2 Method of producing optically-active aldehyde ALDH3A1, ALDH1A2, ADH1A ALDH1A1 6/4885HSD17B10 41/4885CYP2A6 279/4885
US-10294193-B2 Compound, and flavor composition and/or fragrance composition containing same FZD7, TAS1R1, TAS2R5 ALDH1A1 83/4885HSD17B10 537/4885CYP2A6 2800/4885

“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.