SCHEMBL2003369

SCHEMBL2003369

CC(C)(C)c1ccc(P(c2ccc(C(C)(C)C)cc2)c2ccc3c(c2-c2c(P(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)ccc4c2CCCC4)CCCC3)cc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.34
TRPV1 Q8NER1 1/20 0.32
NLRP3 Q96P20 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
DHODH Q02127 2/20 0.31
TP53 P04637 1/20 0.31
MLNR O43193 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
PARP1 P09874 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
SCHEMBL1040530 0.83 CES1 (0.40) CES1NLRP3SMN1; SMN2ALDH1A1LMNA
SCHEMBL1082547 0.80 KDM4E (0.38) CES1ALDH1A1LMNAHTTPARP1
SCHEMBL29424782 0.79 DRD1 (0.39) CES1PARP1
SCHEMBL29924184 0.79 DRD1 (0.39) CES1PARP1
SCHEMBL665033 0.79 DRD1 (0.39) CES1PARP1
SCHEMBL2011321 0.79 ALDH1A1 (0.35) CES1ALDH1A1
Iodide SCHEMBL9231386 0.78 DRD1 (0.38) CES1PARP1
Iodide SCHEMBL9231383 0.78 DRD1 (0.38) CES1PARP1
SCHEMBL9192628 0.78 DRD1 (0.38) CES1PARP1
SCHEMBL1044167 0.76 MEN1 (0.43) CES1ALDH1A1LMNAPARP1

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 32 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-9896402-B2 Method for preventing decrease in optical purity TAKASAGO INTERNATIONAL CORPORATION (JP) 2018-02-20 US disclosed
EP-3199513-A1 PROCESS FOR PRODUCING ALCOHOL ANALOGUE Takasago International Corporation (JP) 2017-08-02 EP disclosed
US-9328079-B2 Process for producing optically active amine TAKASAGO INTERNATIONAL CORPORATION (JP) 2016-05-03 US disclosed
US-9255049-B2 Ruthenium complex and method for preparing optically active alcohol compounds using the same as a catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 2016-02-09 US disclosed
EP-2611819-B1 IRIDIUM COMPLEX AND METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND TAKASAGO PERFUMERY CO LTD (JP) 2015-12-16 EP disclosed
US-7964744-B2 Method for producing a ruthenium complex TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-06-21 US disclosed
US-20090299076-A1 Axially asymmetric ester compound and production method thereof NATIONAL UNIVERSITY CORPORATION TOKYO UNIVERSITY OF AGRICULTURE AND TECHNOLOGY (JP) 2009-12-03 US disclosed
US-20090227805-A1 Axially Asymmetric Phosphorus Compound and Production Method Thereof NATIONAL UNIVERSITY OF CORPORATION TOKYO UNIVERSITY OF AGRICULTURE AND TECHNOLOGY (JP) 2009-09-10 US disclosed
EP-2060578-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE AMINOPHOSPHINYLBUTANOIC ACID MEIJI SEIKA KAISHA LTD. (JP) 2009-05-20 EP disclosed
US-7462722-B2 Process for producing optically active-3-quinuclidinols TAKASAGO INTERNATIONAL CORPORATION (JP) 2008-12-09 US disclosed
EP-1650207-B1 Process for producing optically active 3-quinuclidinols TAKASAGO PERFUMERY CO LTD (JP) 2007-06-27 EP 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
US-5587510-A ASYMMETRICAL HYDROGENATION USING RUTHENIUM-PHOPSHINE COMPLEX AS CATALYSTS TAKASAGO INTERNATIONAL CORPORATION (JP) 1996-12-24 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 (5 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 CES1 1327/4885TRPV1 1010/4885NLRP3 4497/4885
US-20060047122-A1 Process for producing optically active-3-quinuclidinols DHPS, QDPR, TYR CES1 4735/4885TRPV1 2323/4885NLRP3 2813/4885
US-20090299076-A1 Axially asymmetric ester compound and production method thereof SQLE, COASY, TBC1D5 CES1 1903/4885TRPV1 4653/4885NLRP3 4112/4885
US-20090227805-A1 Axially Asymmetric Phosphorus Compound and Production Method Thereof BCL2L10, BCL2A1, SOST CES1 4070/4885TRPV1 3204/4885NLRP3 4697/4885
US-10029968-B2 Process for producing alcohol analogue ADH1A, ADH1C, ADH5 CES1 1128/4885TRPV1 4535/4885NLRP3 4747/4885

“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.