SCHEMBL3758711

SCHEMBL3758711

CC(=O)OC1=CC(C)CCCCCCCCCCCC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.39
PGR P06401 3/20 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
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CCR5 P51681 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
MAPK1 P28482 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
SCHEMBL3758717 1.00 ESR1 (0.39) ESR1PGRCHRM2ADORA3AR
SCHEMBL5191282 1.00 ESR1 (0.39) ESR1PGRCHRM2ADORA3AR
SCHEMBL3758715 1.00 ESR1 (0.39) ESR1PGRCHRM2ADORA3AR
SCHEMBL3758701 1.00 ESR1 (0.39) ESR1PGRCHRM2ADORA3AR
SCHEMBL5191287 1.00 ESR1 (0.39) ESR1PGRCHRM2ADORA3AR
SCHEMBL3770909 1.00 ESR1 (0.39) ESR1PGRCHRM2ADORA3AR
SCHEMBL3758707 1.00 ESR1 (0.39) ESR1PGRCHRM2ADORA3AR
SCHEMBL3758703 1.00 ESR1 (0.39) ESR1PGRCHRM2ADORA3AR
SCHEMBL6899350 0.93 ESR1 (0.33) ESR1PGRCHRM2ADORA3AR
SCHEMBL3726007 0.93 ESR1 (0.33) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1845078-B1 PROCESS FOR PRODUCING LARGE CYCLIC KETONE AND INTERMEDIATE THEREFOR TAKASAGO PERFUMERY CO LTD (JP) 2017-06-07 EP disclosed
US-7846701-B2 Method for preparing optically active compound TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-12-07 US disclosed
US-7479574-B2 Method of producing macrocyclic ketone, and intermediate thereof TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-01-20 US disclosed
US-20070292925-A1 Method for Preparing Optically Active Compound TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-12-20 US disclosed
US-20070287870-A1 Method of Producing Macrocyclic Ketone, and Intermediate Thereof TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-12-13 US disclosed
EP-1845078-A1 PROCESS FOR PRODUCING LARGE CYCLIC KETONE AND INTERMEDIATE THEREFOR Takasago International Corporation (JP) 2007-10-17 EP disclosed
EP-1813679-A1 METHOD FOR PREPARING OPTICALLY ACTIVE COMPOUND Takasago International Corporation (JP) 2007-08-01 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 (1 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-20070287870-A1 Method of Producing Macrocyclic Ketone, and Intermediate Thereof MSMO1, CYP17A1, DNMT1 ESR1 1529/4885PGR 1476/4885CHRM2 96/4885

“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.