SCHEMBL1982010

SCHEMBL1982010

CCC(=C(C(=O)O)c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.50
CES1 P23141 2/20 0.50
ESR1 P03372 7/20 0.48
ESR2 Q92731 4/20 0.48
CYP19A1 P11511 2/20 0.48
PGR P06401 2/20 0.46
PTGS2 P35354 3/20 0.46
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL1982008 1.00 CES2 (0.50) CES2CES1ESR1ESR2CYP19A1
SCHEMBL3864916 0.91 ESR1 (0.64) CES2ESR1ESR2CYP19A1PGR
SCHEMBL3864914 0.91 ESR1 (0.64) CES2ESR1ESR2CYP19A1PGR
SCHEMBL3864922 0.91 ESR1 (0.64) CES2ESR1ESR2CYP19A1PGR
SCHEMBL11638627 0.86 CES2 (0.59) CES2CES1ESR1ESR2CYP19A1
SCHEMBL11503437 0.86 CES2 (0.59) CES2CES1ESR1ESR2CYP19A1
SCHEMBL1981009 0.83 ESR1 (0.44) ESR1ESR2CYP19A1PGRPTGS2
SCHEMBL1981010 0.83 ESR1 (0.44) ESR1ESR2CYP19A1PGRPTGS2
SCHEMBL3654352 0.82 HTR7 (0.44) CES2CES1ESR1ESR2CYP19A1
SCHEMBL3654349 0.82 HTR7 (0.44) CES2CES1ESR1ESR2CYP19A1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107126660-B Composition containing fluoroketone 中化蓝天集团有限公司 2021-02-05 CN claimed
US-8263661-B2 Development of new selective estrogen receptor modulators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-09-11 US disclosed
US-8263661-B2 Development of new selective estrogen receptor modulators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-09-11 US disclosed
US-8263661-B2 Development of new selective estrogen receptor modulators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-09-11 US disclosed
US-8236987-B2 Selective estrogen receptor modulator compositions and methods for treatment of disease THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-08-07 US disclosed
US-8236987-B2 Selective estrogen receptor modulator compositions and methods for treatment of disease THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-08-07 US disclosed
EP-2349999-A1 ALLOSTERIC PROTEIN KINASE MODULATORS Universität des Saarlandes (DE) 2011-08-03 EP disclosed
US-20110152226-A1 Development of New Selective Estrogen Receptor Modulators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-06-23 US disclosed
US-20110152226-A1 Development of New Selective Estrogen Receptor Modulators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-06-23 US disclosed
US-20110152226-A1 Development of New Selective Estrogen Receptor Modulators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-06-23 US disclosed
US-20080214609-A1 Development of new selective estrogen receptor modulators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-09-04 US disclosed
US-20080214609-A1 Development of new selective estrogen receptor modulators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-09-04 US disclosed
US-20080214609-A1 Development of new selective estrogen receptor modulators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-09-04 US disclosed
US-7196119-B2 Development of new selective estrogen receptor modulators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-03-27 US disclosed
US-7196119-B2 Development of new selective estrogen receptor modulators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-03-27 US disclosed
US-7196119-B2 Development of new selective estrogen receptor modulators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-03-27 US disclosed
EP-1680101-A1 DEVELOPMENT OF NEW SELECTIVE ESTROGEN RECEPTOR MODULATORS The Regents of the University of California, Office of the President (US) 2006-07-19 EP disclosed
US-20050113453-A1 Development of new selective estrogen receptor modulators NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-05-26 US disclosed
WO-2005041946-A1 DEVELOPMENT OF NEW SELECTIVE ESTROGEN RECEPTOR MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-05-12 WO disclosed
US-5064850-A Anticholenergic MARION MERRELL DOW INC. (US) 1991-11-12 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 (3 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-20080214609-A1 Development of new selective estrogen receptor modulators ESR2, ESR1, GPER1 CES2 1439/4885CES1 540/4885ESR1 2/4885
US-20050113453-A1 Development of new selective estrogen receptor modulators ESR2, ESR1, GPER1 CES2 1439/4885CES1 540/4885ESR1 2/4885
US-20110152226-A1 Development of New Selective Estrogen Receptor Modulators ESR2, ESR1, GPER1 CES2 1439/4885CES1 540/4885ESR1 2/4885

“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.