SCHEMBL1044167

SCHEMBL1044167

Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccc3c(c2-c2c(P(c4cc(C)cc(C)c4)c4cc(C)cc(C)c4)ccc4c2CCCC4)CCCC3)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CES1 P23141 6/20 0.40
RAPGEF4 Q8WZA2 1/20 0.34
PARP1 P09874 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
STAT3 P40763 1/20 0.31
BCL2L1 Q07817 1/20 0.31
BAD Q92934 1/20 0.31
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL31438411 1.00 MEN1 (0.43) MEN1KMT2ACES1RAPGEF4PARP1
SCHEMBL1040530 0.87 CES1 (0.40) MEN1KMT2ACES1PARP1NPC1
SCHEMBL31566360 0.86 CES1 (0.37) MEN1KMT2ACES1NPC1RAB9A
SCHEMBL1042360 0.86 CES1 (0.37) MEN1KMT2ACES1NPC1RAB9A
SCHEMBL5897686 0.83 CES1 (0.38) MEN1KMT2ACES1
SCHEMBL26550837 0.80 DRD1 (0.38) CES1PARP1BCL2L1BADALDH1A1
SCHEMBL29424782 0.79 DRD1 (0.39) CES1PARP1BCL2L1BAD
SCHEMBL665033 0.79 DRD1 (0.39) CES1PARP1BCL2L1BAD
SCHEMBL29924184 0.79 DRD1 (0.39) CES1PARP1BCL2L1BAD
SCHEMBL9192628 0.78 DRD1 (0.38) CES1PARP1BCL2L1BAD

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 78 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
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-3199513-B1 PROCESS FOR PRODUCING ALCOHOL ANALOGUE TAKASAGO PERFUMERY CO LTD (JP) 2019-05-08 EP 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-10029968-B2 Process for producing alcohol analogue 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-20170297990-A1 PROCESS FOR PRODUCING ALCOHOL ANALOGUE TAKASAGO INTERNATIONAL CORPORATION (JP) 2017-10-19 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
EP-0781749-B1 Process for producing optically active benzhydrol compounds TAKASAGO PERFUMERY CO LTD (JP) 2002-09-04 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
EP-0673911-B1 Process for producing optically active carboxylic acids and chiral ligands for this purpose TAKASAGO PERFUMERY CO LTD (JP) 1999-01-20 EP disclosed
EP-0781749-A2 Process for producing optically active benzhydrol compounds Takasago International Corporation (JP) 1997-07-02 EP disclosed
US-5563295-A HYDROGENATION OF OLEFINIC CARBOXYLIC ACID USING RUTHENIUM-PHOSPHINE COMPLEX CATALYST TAKASAGO INTERNATIONAL CORPORATION (JP) 1996-10-08 US disclosed
EP-0673911-A1 Process for producing optically active carboxylic acids and chiral ligands for this purpose Takasago International Corporation (JP) 1995-09-27 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-20220169600-A1 METHOD FOR PRODUCING PKROSTAGLANDIN PTGS1, PTGER1, RACK1 MEN1 2300/4885KMT2A 2066/4885CES1 1327/4885
US-10029969-B2 Method of producing optically-active aldehyde ALDH3A1, ALDH1A2, ADH1A MEN1 3945/4885KMT2A 3097/4885CES1 574/4885
US-10294193-B2 Compound, and flavor composition and/or fragrance composition containing same FZD7, TAS1R1, TAS2R5 MEN1 1763/4885KMT2A 994/4885CES1 1911/4885
US-20030105341-A1 Process for producing optically active gamma-butyrolactone HSD17B10, HSD17B1, HSD17B12 MEN1 2881/4885KMT2A 3056/4885CES1 155/4885
US-20170297990-A1 PROCESS FOR PRODUCING ALCOHOL ANALOGUE ADH1A, ADH1C, ADH5 MEN1 290/4885KMT2A 1658/4885CES1 1128/4885
US-20020007094-A1 Method for producing 1-menthol HRH4, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PHOSPHO1 MEN1 570/4885KMT2A 3335/4885CES1 2700/4885
US-10029968-B2 Process for producing alcohol analogue ADH1A, ADH1C, ADH5 MEN1 290/4885KMT2A 1658/4885CES1 1128/4885

“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.