SCHEMBL906339

SCHEMBL906339

CNCCOc1ccc(/C(=C(\CCCl)c2ccccc2)c2ccc(O)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 18/20 0.76
▸ CYP19A1 P11511 7/20 0.76
▸ ESRRG P62508 5/20 0.76
▸ ESR2 Q92731 5/20 0.72
▸ LMNA P02545 1/20 0.63
▸ HTR6 P50406 1/20 0.63
▸ CYP1A2 P05177 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2A6 P11509 1/20 0.55
▸ CYP3A5 P20815 1/20 0.55
▸ ESRRB O95718 1/20 0.55

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
SCHEMBL906340 1.00 ESR1 (0.76) ESR1CYP19A1ESRRGESR2LMNA
SCHEMBL9099398 1.00 ESR1 (0.76) ESR1CYP19A1ESRRGESR2LMNA
SCHEMBL906306 0.95 HTR6 (0.69) ESR1CYP19A1ESRRGESR2LMNA
SCHEMBL906307 0.95 HTR6 (0.69) ESR1CYP19A1ESRRGESR2LMNA
SCHEMBL5725379 0.95 HTR6 (0.69) ESR1CYP19A1ESRRGESR2LMNA
SCHEMBL9097768 0.91 ESR1 (0.63) ESR1CYP19A1ESRRGESR2LMNA
SCHEMBL9097781 0.91 ESR1 (0.63) ESR1CYP19A1ESRRGESR2LMNA
SCHEMBL9097774 0.91 ESR1 (0.63) ESR1CYP19A1ESRRGESR2LMNA
SCHEMBL23183595 0.89 ESR1 (0.82) ESR1CYP19A1ESRRGESR2CYP1A2
Endoxifen SCHEMBL14391818 0.86 ESR1 (1.00) ESR1CYP19A1ESRRGESR2LMNA

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
US-20040186185-A1 Using toremifene and/or analog or metabolite; reducing incidence of premalignant lesions UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2004-09-23 — — US claimed
US-20040092602-A1 Administering toremifene UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2004-05-13 — — US claimed
US-6413535-B1 ADMINISTERING CHLORINATED PHENYL COMPOUND THE UNIVERSITY OF TENNESSEE RESEARCH CORPORATION 2002-07-02 — — US claimed
US-5491173-A ESTROGENIC, ANTIESTROGENIC AGENTS, ANTITUMOR AGENTS ORION-YHTYMA OY (FI) 1996-02-13 — — US claimed
EP-2277514-A1 A method for chemoprevention of prostate cancer THE UNIVERSITY OF TENNESSEE RESEARCH CORPORATION (US) 2011-01-26 — — EP disclosed
US-7378445-B2 Treatment of prostate cancer PEPLIN RESEARCH PTY. LTD. (AU) 2008-05-27 — — US disclosed
US-20060287400-A1 benign prostatic hyperplasia, prostate intraepithelial neoplasia (PIN), or an abnormally high level of circulating prostate specific antibody (PSA), UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2006-12-21 — — US disclosed
US-20060105994-A1 Treatment of prostate cancer PEPLIN RESEARCH PTY LTD. (AU) 2006-05-18 — — US disclosed
EP-1003496-B1 MEDICAMENT FOR TREATING PROSTATE INTRAEPITHELIAL NEOPLASIA UNIV TENNESSEE RES CORP (US) 2004-11-24 — — EP disclosed
EP-1475087-A2 A method for chemoprevention of prostate cancer THE UNIVERSITY OF TENNESSEE RESEARCH CORPORATION (US) 2004-11-10 — — EP disclosed
US-20040186185-A1 Using toremifene and/or analog or metabolite; reducing incidence of premalignant lesions UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2004-09-23 — — US disclosed
US-20040176470-A1 suppressing, inhibiting, or reducing the incidence of pre-malignant lesions of prostate cancer UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2004-09-09 — — US disclosed
US-6413533-B1 ADMINISTERING ANTIESTROGEN THE UNIVERSITY OF TENNESSEE RESEARCH CORPORATION 2002-07-02 — — US disclosed
US-6410043-B1 Method for chemoprevention of prostate cancer THE UNIVERSITY OF TENNESSEE RESEARCH CORPORATION 2002-06-25 — — US disclosed
US-6204295-B1 Antioxidant compounds ORION CORPORATION (FI) 2001-03-20 — — US disclosed
EP-1003496-A1 METHOD FOR CHEMOPREVENTION OF PROSTATE CANCER THE UNIVERSITY OF TENNESSEE RESEARCH CORPORATION (US) 2000-05-31 — — EP disclosed
WO-1999056739-A1 A METHOD FOR CHEMOPREVENTION OF PROSTATE CANCER THE UNIVERSITY OF TENNESSEE RESEARCH CORPORATION (US) 1999-11-11 — — WO disclosed
EP-0910354-A1 ANTIOXIDANT COMPOUNDS ORION-YHTYMA OY (FI) 1999-04-28 — — EP disclosed
WO-1997041847-A1 ANTIOXIDANT COMPOUNDS Orion-Yhtymä Oy (FI) 1997-11-13 — — WO disclosed
US-5491173-A ESTROGENIC, ANTIESTROGENIC AGENTS, ANTITUMOR AGENTS ORION-YHTYMA OY (FI) 1996-02-13 — — 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 (5 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-20040176470-A1 suppressing, inhibiting, or reducing the incidence of pre-malignant lesions of prostate cancer ACP3, KLK3, MKI67 ESR1 253/4885CYP19A1 115/4885ESRRG 431/4885
US-20040186185-A1 Using toremifene and/or analog or metabolite; reducing incidence of premalignant lesions AR, OPRL1, NR5A1 ESR1 19/4885CYP19A1 15/4885ESRRG 181/4885
US-20060105994-A1 Treatment of prostate cancer ACP3, KLK3, BPHL ESR1 209/4885CYP19A1 110/4885ESRRG 165/4885
US-20060287400-A1 benign prostatic hyperplasia, prostate intraepithelial neoplasia (PIN), or an abnormally high level of circulating prostate specific antibody (PSA), KLK3, ACP3, BPHL ESR1 767/4885CYP19A1 86/4885ESRRG 3107/4885
US-20040092602-A1 Administering toremifene OPRL1, OPRK1, NR5A1 ESR1 26/4885CYP19A1 28/4885ESRRG 312/4885

“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.

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