SCHEMBL1981010

SCHEMBL1981010

CCC(=C(C(=O)O)c1ccc(OC(C)(C)C)cc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.44
CYP19A1 P11511 4/20 0.44
ELANE P08246 2/20 0.43
KMT2A Q03164 2/20 0.43
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.43
CYP3A4 P08684 2/20 0.42
PTGS2 P35354 2/20 0.41
PPARG P37231 1/20 0.41
NR1I2 O75469 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
PRKD3 O94806 1/20 0.40
ABCB11 O95342 1/20 0.40
EGFR P00533 1/20 0.40
GBA1 P04062 1/20 0.40
NR3C1 P04150 1/20 0.40
ERBB2 P04626 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL1981009 1.00 ESR1 (0.44) ESR1CYP19A1ELANEKMT2ARECQL
SCHEMBL1982008 0.83 CES2 (0.50) ESR1CYP19A1SMN1; SMN2PTGS2PGR
SCHEMBL1982010 0.83 CES2 (0.50) ESR1CYP19A1SMN1; SMN2PTGS2PGR
SCHEMBL1986930 0.81 CYP19A1 (0.37) ESR1CYP19A1ELANEKMT2ARECQL
SCHEMBL1986932 0.81 CYP19A1 (0.37) ESR1CYP19A1ELANEKMT2ARECQL
SCHEMBL12338033 0.81 ELANE (0.44) CYP19A1ELANEPPARGMAPT
SCHEMBL11959193 0.79 CYP19A1 (0.43) ESR1CYP19A1KMT2ACYP3A4PTGS2
SCHEMBL12315764 0.79 CYP19A1 (0.43) ESR1CYP19A1KMT2ACYP3A4PTGS2
SCHEMBL1983042 0.79 ESR1 (0.61) ESR1KMT2ASMN1; SMN2HIF1ACYP3A4
SCHEMBL1983043 0.79 ESR1 (0.61) ESR1KMT2ASMN1; SMN2HIF1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-20090124698-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASE OREGON HEALTH & SCIENCE UNIVERSITY (US) 2009-05-14 US disclosed
US-20090124698-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASE OREGON HEALTH & SCIENCE UNIVERSITY (US) 2009-05-14 US disclosed
WO-2009062082-A2 SELECTIVE ESTROGEN RECEPTOR MODULATOR COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASE OREGON HEALTH & SCIENCE UNIVERSITY (US) 2009-05-14 WO 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 ESR1 2/4885CYP19A1 13/4885ELANE 3163/4885
US-20050113453-A1 Development of new selective estrogen receptor modulators ESR2, ESR1, GPER1 ESR1 2/4885CYP19A1 13/4885ELANE 3163/4885
US-20090124698-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASE ESR1, GPER1, ESR2 ESR1 1/4885CYP19A1 11/4885ELANE 1983/4885
US-20110152226-A1 Development of New Selective Estrogen Receptor Modulators ESR2, ESR1, GPER1 ESR1 2/4885CYP19A1 13/4885ELANE 3163/4885

“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.