SCHEMBL227233

SCHEMBL227233

CC/C(=C(\c1ccccc1)c1ccc(OC(C)N(C)C)cc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.59
ESR2 Q92731 6/20 0.59
MAPT P10636 3/20 0.59
CYP3A4 P08684 3/20 0.59
MEN1 O00255 2/20 0.59
TP53 P04637 2/20 0.59
PGR P06401 2/20 0.59
ESRRG P62508 2/20 0.59
KMT2A Q03164 2/20 0.59
NPC1 O15118 1/20 0.59
NR1I2 O75469 1/20 0.59
PRKD3 O94806 1/20 0.59
ABCB11 O95342 1/20 0.59
EGFR P00533 1/20 0.59
GBA1 P04062 1/20 0.59
NR3C1 P04150 1/20 0.59
ERBB2 P04626 1/20 0.59
PRKCG P05129 1/20 0.59
CYP1A2 P05177 1/20 0.59
PRKCB P05771 1/20 0.59

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
SCHEMBL1962745 1.00 ESR1 (0.59) ESR1ESR2MAPTCYP3A4MEN1
SCHEMBL3773026 0.95 ESR1 (0.65) ESR1ESR2MAPTCYP3A4MEN1
SCHEMBL10506418 0.95 ESR1 (0.65) ESR1ESR2MAPTCYP3A4MEN1
SCHEMBL10506428 0.95 ESR1 (0.65) ESR1ESR2MAPTCYP3A4MEN1
SCHEMBL30289809 0.87 ESR1 (0.52) ESR1ESR2MAPTCYP3A4MEN1
Citric Acid SCHEMBL10954226 0.86 ESR1 (0.68) ESR1ESR2MAPTCYP3A4MEN1
SCHEMBL30677997 0.86 ESR1 (0.61) ESR1ESR2MAPTCYP3A4MEN1
SCHEMBL10828019 0.84 ESR1 (0.54) ESR1ESR2MAPTCYP3A4MEN1
SCHEMBL7547707 0.84 ESR1 (0.60) ESR1ESR2MAPTCYP3A4MEN1
SCHEMBL7547715 0.84 ESR1 (0.60) ESR1ESR2MAPTCYP3A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9675546-B2 Method of treating atrophic vaginitis KLAMERUS BERNADETTE (US) 2017-06-13 US claimed
EP-2205075-A1 THERAPIES FOR TREATING CANCER USING COMBINATIONS OF COX-2 INHIBITORS AND AROMATASE INHIBITORS OR COMBINATIONS OF COX-2 INHIBITORS AND ESTROGEN RECEPTOR ANTAGONISTS Tragara Pharmaceuticals, Inc. (US) 2010-07-14 EP claimed
WO-2009042612-A1 THERAPIES FOR TREATING CANCER USING COMBINATIONS OF COX-2 INHIBITORS AND AROMATASE INHIBITORS OR COMBINATIONS OF COX-2 INHIBITORS AND ESTROGEN RECEPTOR ANTAGONISTS TRAGARA PHARMACEUTICALS, INC. (US) 2009-04-02 WO claimed
US-5945456-A Prevention and treatment of pathologies associated with abnormally proliferative smooth muscle cells NEORX CORPORATION (US) 1999-08-31 US claimed
US-5847007-A Prevention and treatment of pathologies associated with abnormally proliferative smooth muscle cells NEORX CORPORATION (US) 1998-12-08 US claimed
US-5773479-A Prevention and treatment of pathologies associated with abnormally proliferative smooth muscle cells NEORX CORPORATION (US) 1998-06-30 US claimed
EP-0500589-A1 PURIFIED PROTEIN AND BIOACTIVE PHARMACEUTICAL. ALFACELL CORP (US) 1992-09-02 EP claimed
WO-1991007435-A1 PURIFIED PROTEIN AND BIOACTIVE PHARMACEUTICAL ALFACELL CORPORATION (US) 1991-05-30 WO claimed
US-4536516-A Alkene derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-08-20 US claimed
US-9820990-B2 Methods of treating disorders associated with protein aggregation The University of Pittsburgh—Of the Commonwealth System of Higher Education (US) 2017-11-21 US disclosed
US-9693953-B2 Method of treating atrophic vaginitis CHOLLET JANET A (US) 2017-07-04 US disclosed
US-9675546-B2 Method of treating atrophic vaginitis KLAMERUS BERNADETTE (US) 2017-06-13 US disclosed
US-20160361319-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH PROTEIN AGGREGATION UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2016-12-15 US disclosed
US-9480662-B1 Compositions and methods for topical tamoxifen citrate therapy CHOLLET JANET A (US) 2016-11-01 US disclosed
WO-1995010513-A1 BENZOTHIOPHENES AND RELATED COMPOUNDS AS ESTROGEN AGONISTS PFIZER INC. (US) 1995-04-20 WO disclosed
EP-0287690-B1 STABLE SOLVENT ADDUCTS OF Z-1-(P-BETA-DIMETHYLAMINO-ETHOXYPHENYL)-1-(P-HYDROXYPHENYL)-2-PHENYLBUT-1-ENE HEUMANN PHARMA GMBH & CO (DE) 1992-09-02 EP disclosed
US-4973755-A ANTIESTROGENS HEUMANN PHARMA GMBH & CO. (DE) 1990-11-27 US disclosed
US-4656187-A SYNERGISTIC COMBINATION ELI LILLY AND COMPANY (US) 1987-04-07 US disclosed
US-4536516-A Alkene derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-08-20 US disclosed
US-4418068-A Antiestrogenic and antiandrugenic benzothiophenes ELI LILLY AND COMPANY (US) 1983-11-29 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 (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-20160361319-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH PROTEIN AGGREGATION HTT, ATIC, API5 ESR1 1148/4885ESR2 1874/4885MAPT 39/4885

“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.