SCHEMBL19100721

SCHEMBL19100721

Cc1cc(C(=C2CCCCC2)c2ccc(Br)cc2)cc(C)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.43
PGR P06401 1/20 0.43
CHRM2 P08172 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
AR P10275 1/20 0.43
CHRM1 P11229 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
ESR2 Q92731 6/20 0.37
OGG1 O15527 1/20 0.36
PSMB1 P20618 2/20 0.35
PSMB5 P28074 2/20 0.35
PSMB2 P49721 2/20 0.35
ACHE P22303 1/20 0.35
ALOX5 P09917 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HSP90AA1 P07900 1/20 0.33

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
SCHEMBL3468550 0.86 ESR1 (0.42) ESR1PGRCHRM2ADORA3AR
SCHEMBL3467561 0.81 ALOX15 (0.50) ESR1PGRCHRM2ADORA3AR
SCHEMBL3468339 0.81 ALOX15 (0.50) ESR1PGRCHRM2ADORA3AR
SCHEMBL3468461 0.81 ALOX15 (0.50) ESR1PGRCHRM2ADORA3AR
SCHEMBL3468390 0.79 ALOX15 (0.52) ESR1PGRCHRM2ADORA3AR
SCHEMBL3468479 0.78 ESR1 (0.38) ESR1PGRCHRM2ADORA3AR
SCHEMBL3084800 0.78 CHRM2 (0.47) ESR1PGRCHRM2ADORA3AR
SCHEMBL3469110 0.76 ALDH1A1 (0.44) ESR1PGRCHRM2ADORA3AR
SCHEMBL3468437 0.76 ESR1 (0.44) ESR1PGRCHRM2ADORA3AR
SCHEMBL3467959 0.75 ESR1 (0.38) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200331828-A1 NOVEL COMPOUNDS WHICH ACTIVATE ESTROGEN RECEPTORS AND COMPOSITIONS AND METHODS OF USING THE SAME UNIV ILLINOIS (US) 2020-10-22 US disclosed
US-20200331828-A1 NOVEL COMPOUNDS WHICH ACTIVATE ESTROGEN RECEPTORS AND COMPOSITIONS AND METHODS OF USING THE SAME UNIV ILLINOIS (US) 2020-10-22 US disclosed
US-10703698-B2 Compounds which activate estrogen receptors and compositions and methods of using the same THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2020-07-07 US disclosed
US-10703698-B2 Compounds which activate estrogen receptors and compositions and methods of using the same THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2020-07-07 US disclosed
US-20190002380-A1 NOVEL COMPOUNDS WHICH ACTIVATE ESTROGEN RECEPTORS AND COMPOSITIONS AND METHODS OF USING THE SAME THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2019-01-03 US disclosed
US-20190002380-A1 NOVEL COMPOUNDS WHICH ACTIVATE ESTROGEN RECEPTORS AND COMPOSITIONS AND METHODS OF USING THE SAME THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2019-01-03 US disclosed
EP-3400071-A1 NOVEL COMPOUNDS WHICH ACTIVATE ESTROGEN RECEPTORS AND COMPOSITIONS AND METHODS OF USING THE SAME The Board of Trustees of the University of Illinois (US) 2018-11-14 EP disclosed
WO-2017120507-A1 NOVEL COMPOUNDS WHICH ACTIVATE ESTROGEN RECEPTORS AND COMPOSITIONS AND METHODS OF USING THE SAME THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-07-13 WO disclosed
WO-2017120507-A1 NOVEL COMPOUNDS WHICH ACTIVATE ESTROGEN RECEPTORS AND COMPOSITIONS AND METHODS OF USING THE SAME THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-07-13 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 (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-10703698-B2 Compounds which activate estrogen receptors and compositions and methods of using the same GPER1, ESRRG, ESR2 ESR1 4/4885PGR 9/4885CHRM2 822/4885
US-20190002380-A1 NOVEL COMPOUNDS WHICH ACTIVATE ESTROGEN RECEPTORS AND COMPOSITIONS AND METHODS OF USING THE SAME GPER1, ESRRG, ESR2 ESR1 4/4885PGR 10/4885CHRM2 667/4885
US-20200331828-A1 NOVEL COMPOUNDS WHICH ACTIVATE ESTROGEN RECEPTORS AND COMPOSITIONS AND METHODS OF USING THE SAME GPER1, ESRRG, ESR2 ESR1 4/4885PGR 10/4885CHRM2 667/4885

“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.