SCHEMBL1042360

SCHEMBL1042360

Cc1cccc(P(c2cccc(C)c2)c2ccc3c(c2-c2c(P(c4cccc(C)c4)c4cccc(C)c4)ccc4c2CCCC4)CCCC3)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 4/20 0.37
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
BCL2L1 Q07817 1/20 0.35
BAD Q92934 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 3/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
ACHE P22303 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 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
SCHEMBL31566360 1.00 CES1 (0.37) CES1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL22471754 0.90 CES1 (0.35) CES1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL31438411 0.86 MEN1 (0.43) CES1NPC1RAB9ANPSR1BCL2L1
SCHEMBL1044167 0.86 MEN1 (0.43) CES1NPC1RAB9ANPSR1BCL2L1
SCHEMBL1040530 0.83 CES1 (0.40) CES1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL665033 0.82 DRD1 (0.39) CES1BCL2L1BADDRD1
SCHEMBL29424782 0.82 DRD1 (0.39) CES1BCL2L1BADDRD1
SCHEMBL29924184 0.82 DRD1 (0.39) CES1BCL2L1BADDRD1
SCHEMBL26550837 0.82 DRD1 (0.38) CES1BCL2L1BADALDH1A1DRD1
Iodide SCHEMBL9231383 0.81 DRD1 (0.38) CES1BCL2L1BADDRD1

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 52 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
EP-3199513-B1 PROCESS FOR PRODUCING ALCOHOL ANALOGUE TAKASAGO PERFUMERY CO LTD (JP) 2019-05-08 EP disclosed
US-10029968-B2 Process for producing alcohol analogue TAKASAGO INTERNATIONAL CORPORATION (JP) 2018-07-24 US disclosed
US-20170297990-A1 PROCESS FOR PRODUCING ALCOHOL ANALOGUE TAKASAGO INTERNATIONAL CORPORATION (JP) 2017-10-19 US disclosed
EP-3199513-A1 PROCESS FOR PRODUCING ALCOHOL ANALOGUE Takasago International Corporation (JP) 2017-08-02 EP disclosed
EP-2774908-B1 METHOD FOR PREVENTING DECREASE IN OPTICAL PURITY TAKASAGO PERFUMERY CO LTD (JP) 2017-02-08 EP disclosed
EP-2762467-B1 Method for producing an optically active 2-arylpiperidinium salt TAKASAGO PERFUMERY CO LTD (JP) 2016-08-03 EP disclosed
US-9328079-B2 Process for producing optically active amine TAKASAGO INTERNATIONAL CORPORATION (JP) 2016-05-03 US disclosed
US-20090036696-A1 IRIDIUM COMPLEXES TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-02-05 US disclosed
US-7462722-B2 Process for producing optically active-3-quinuclidinols TAKASAGO INTERNATIONAL CORPORATION (JP) 2008-12-09 US disclosed
EP-1935896-A1 Novel optically active biaryl phosphorus compound and production process thereof National University Corporation Tokyo University of Agriculture and Technology (JP) 2008-06-25 EP disclosed
US-20080139822-A1 Novel optically active biaryl phosphorus compound and production process thereof MAXWELL TECHNOLOGIES, INC. 2008-06-12 US disclosed
US-7294601-B2 Phosphines, transition metal complexes containing the same as the ligand, and process for production of optically active carboxylic acids TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-11-13 US disclosed
EP-1650207-B1 Process for producing optically active 3-quinuclidinols TAKASAGO PERFUMERY CO LTD (JP) 2007-06-27 EP disclosed
US-20070060772-A1 Phosphines, transition metal complexes containing the same as the ligand, and process for production of optically active carboxylic acids TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-03-15 US disclosed
EP-1698609-A1 Process for producing an alcohol or its silyl ether Takasago International Corporation (JP) 2006-09-06 EP disclosed
EP-1650207-A1 Process for producing optically active 3-quinuclidinols Takasago International Corporation (JP) 2006-04-26 EP disclosed
US-20060047122-A1 Process for producing optically active-3-quinuclidinols TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-03-02 US 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-20090036696-A1 IRIDIUM COMPLEXES HAX1, MLX, H1-0 CES1 1950/4885NPC1 4362/4885RAB9A 3304/4885
US-20070060772-A1 Phosphines, transition metal complexes containing the same as the ligand, and process for production of optically active carboxylic acids CCND1, CCNA1, CA2 CES1 2749/4885NPC1 4102/4885RAB9A 1773/4885
US-20220169600-A1 METHOD FOR PRODUCING PKROSTAGLANDIN PTGS1, PTGER1, RACK1 CES1 1327/4885NPC1 2818/4885RAB9A 3323/4885
US-20060047122-A1 Process for producing optically active-3-quinuclidinols DHPS, QDPR, TYR CES1 4735/4885NPC1 4487/4885RAB9A 116/4885
US-20080139822-A1 Novel optically active biaryl phosphorus compound and production process thereof PHOSPHO1, DHRS9, HDHD5 CES1 1126/4885NPC1 4118/4885RAB9A 297/4885
US-20170297990-A1 PROCESS FOR PRODUCING ALCOHOL ANALOGUE ADH1A, ADH1C, ADH5 CES1 1128/4885NPC1 4466/4885RAB9A 1824/4885
US-10029968-B2 Process for producing alcohol analogue ADH1A, ADH1C, ADH5 CES1 1128/4885NPC1 4466/4885RAB9A 1824/4885

“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.