SCHEMBL906277

SCHEMBL906277

CN(C)CCOc1ccc(C(=C(CCCl)c2ccc(O)cc2)c2ccc(O)cc2)cc1

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 17/20 0.91
ESRRG P62508 13/20 0.91
LMNA P02545 2/20 0.81
HTR6 P50406 1/20 0.81
ESRRB O95718 5/20 0.69
ESR2 Q92731 5/20 0.67
KDM4E B2RXH2 1/20 0.67
MEN1 O00255 1/20 0.67
ALDH1A1 P00352 1/20 0.67
TP53 P04637 1/20 0.67
CYP3A4 P08684 1/20 0.67
MAPT P10636 1/20 0.67
KMT2A Q03164 1/20 0.67
HIF1A Q16665 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67
PLD2 O14939 1/20 0.67
PGR P06401 1/20 0.67
PLD1 Q13393 1/20 0.67
ESRRA P11474 2/20 0.66
CYP19A1 P11511 1/20 0.64

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
SCHEMBL4873146 1.00 ESR1 (0.91) ESR1ESRRGLMNAHTR6ESRRB
4-Hydroxytormifene SCHEMBL9099337 0.95 ESR1 (1.00) ESR1ESRRGLMNAHTR6ESRRB
4-Hydroxytormifene SCHEMBL906310 0.95 ESR1 (1.00) ESR1ESRRGLMNAHTR6ESRRB
4-Hydroxytormifene SCHEMBL906309 0.95 ESR1 (1.00) ESR1ESRRGLMNAHTR6ESRRB
SCHEMBL30421012 0.95 ESR1 (1.00) ESR1ESRRGLMNAHTR6ESRRB
Toremifene SCHEMBL1152000 0.90 HTR6 (1.00) ESR1ESRRGLMNAHTR6ESRRB
SCHEMBL5738249 0.90 HTR6 (0.81) ESR1ESRRGLMNAHTR6ESRRB
Toremifene SCHEMBL906278 0.90 HTR6 (1.00) ESR1ESRRGLMNAHTR6ESRRB
SCHEMBL5738255 0.90 HTR6 (0.81) ESR1ESRRGLMNAHTR6ESRRB
Toremifene SCHEMBL7465 0.90 HTR6 (1.00) ESR1ESRRGLMNAHTR6ESRRB

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 23 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
US-20060019989-A1 Compositions comprising 5-alpha reductase inhibitors and SERMs and methods of use thereof GTX, INC 2006-01-26 US 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-20040092602-A1 Administering toremifene UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2004-05-13 US disclosed
US-6413533-B1 ADMINISTERING ANTIESTROGEN THE UNIVERSITY OF TENNESSEE RESEARCH CORPORATION 2002-07-02 US disclosed
US-6413534-B1 ADMINISTERING CHLORINATED PHENYL COMPOUND 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
WO-2002011743-A2 TREATMENT OF PROSTATE CANCER PEPLIN RESEARCH PTY LTD (AU) 2002-02-14 WO disclosed
US-6265448-B1 administering toremifene THE UNIVERSITY OF TENNESSEE RESEARCH CORPORATION 2001-07-24 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
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 (6 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 253/4885ESRRG 431/4885LMNA 215/4885
US-20040186185-A1 Using toremifene and/or analog or metabolite; reducing incidence of premalignant lesions AR, OPRL1, NR5A1 ESR1 19/4885ESRRG 181/4885LMNA 547/4885
US-20060105994-A1 Treatment of prostate cancer ACP3, KLK3, BPHL ESR1 209/4885ESRRG 165/4885LMNA 3998/4885
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 767/4885ESRRG 3107/4885LMNA 297/4885
US-20060019989-A1 Compositions comprising 5-alpha reductase inhibitors and SERMs and methods of use thereof NR5A1, SRD5A1, CYP19A1 ESR1 62/4885ESRRG 22/4885LMNA 1911/4885
US-20040092602-A1 Administering toremifene OPRL1, OPRK1, NR5A1 ESR1 26/4885ESRRG 312/4885LMNA 472/4885

“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.