SCHEMBL9609554

SCHEMBL9609554

CC(=O)C(C)=C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.38
PGR P06401 1/20 0.38
CHRM2 P08172 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
AR P10275 1/20 0.38
CHRM1 P11229 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
TSHR P16473 2/20 0.33
CASP1 P29466 1/20 0.33
GRIK1 P39086 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TRIM24 O15164 1/20 0.32
TRIM33 Q9UPN9 1/20 0.32
THPO P40225 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
SCHEMBL18198966 1.00 ESR1 (0.38) ESR1PGRCHRM2ADORA3AR
SCHEMBL18198969 0.97 ESR1 (0.35) ESR1PGRCHRM2ADORA3AR
SCHEMBL13663826 0.92
SCHEMBL318430 0.85
SCHEMBL9432289 0.81 GRIK1 (0.39) ESR1PGRCHRM2ADORA3AR
SCHEMBL1357983 0.78 GRIK1 (0.38) ESR1PGRCHRM2ADORA3AR
SCHEMBL29138432 0.75 SLC6A2 (0.38) ESR1PGRCHRM2ADORA3AR
SCHEMBL4659117 0.72
SCHEMBL29138431 0.72 ALDH1A1 (0.39) ESR1PGRCHRM2ADORA3AR
SCHEMBL7041913 0.71 GLO1 (0.39) ESR1PGRCHRM2ADORA3AR

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160320699-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-11-03 US disclosed
US-20160320699-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-11-03 US disclosed
EP-3088955-A2 RESIST COMPOSITION AND PATTERNING PROCESS Shin-Etsu Chemical Co., Ltd. (JP) 2016-11-02 EP disclosed
US-9000192-B2 Catalyst for asymmetric hydrogenation and method for manufacturing optically active carbonyl compound using the same TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-04-07 US disclosed
US-9000192-B2 Catalyst for asymmetric hydrogenation and method for manufacturing optically active carbonyl compound using the same TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-04-07 US disclosed
US-8674144-B2 Catalyst for asymmetric hydrogenation and method for manufacturing optically active carbonyl compound using the same TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-03-18 US disclosed
US-8674144-B2 Catalyst for asymmetric hydrogenation and method for manufacturing optically active carbonyl compound using the same TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-03-18 US disclosed
US-20130217895-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-08-22 US disclosed
US-20130217895-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-08-22 US disclosed
US-20120136176-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-05-31 US disclosed
US-20120136176-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-05-31 US disclosed
EP-2457655-A2 Catalyst for asymmetric hydrogenation comprising peptides and method for manufacturing optically active carbonyl compound using the same Takasago International Corporation (JP) 2012-05-30 EP disclosed
WO-2011108672-A2 HOMOGENEOUS ASYMMETRIC HYDROGENATION CATALYST 高砂香料工業株式会社 (JP) 2011-09-09 WO 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 (2 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-20120136176-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME HMOX1, HIRA, HRH1 ESR1 3369/4885PGR 4429/4885CHRM2 2019/4885
US-20130217895-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME HMOX1, NQO1, CBR3 ESR1 3401/4885PGR 4427/4885CHRM2 1237/4885

“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.