SCHEMBL906174

SCHEMBL906174

CCN(CC)CCOc1ccc(C(=C(CCCl)c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.77
LMNA P02545 1/20 0.77
ESR1 P03372 12/20 0.71
ESRRG P62508 6/20 0.71
EBP Q15125 5/20 0.69
SIGMAR1 Q99720 4/20 0.69
KCNH2 Q12809 3/20 0.69
CHRM2 P08172 3/20 0.69
ADRA2A P08913 3/20 0.69
ADORA3 P0DMS8 3/20 0.69
CHRM1 P11229 3/20 0.69
PTGS1 P23219 3/20 0.69
SLC6A2 P23975 3/20 0.69
SLC6A4 P31645 3/20 0.69
DRD3 P35462 3/20 0.69
SLC6A3 Q01959 3/20 0.69
KMT2A Q03164 3/20 0.69
MAPT P10636 3/20 0.69
EGFR P00533 2/20 0.69
ERBB2 P04626 2/20 0.69

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
SCHEMBL906173 1.00 HTR6 (0.77) HTR6LMNAESR1ESRRGEBP
SCHEMBL8140749 0.94 ESR1 (0.74) HTR6LMNAESR1ESRRGEBP
SCHEMBL9451187 0.90 ESR1 (0.72) HTR6LMNAESR1ESRRGEBP
SCHEMBL9451189 0.90 ESR1 (0.72) HTR6LMNAESR1ESRRGEBP
SCHEMBL14044785 0.90 ESR1 (0.71) HTR6LMNAESR1ESRRGEBP
SCHEMBL22022384 0.89 HTR6 (0.61) HTR6LMNAESR1ESRRGEBP
Toremifene SCHEMBL906278 0.87 HTR6 (1.00) HTR6LMNAESR1ESRRGEBP
Toremifene SCHEMBL7465 0.87 HTR6 (1.00) HTR6LMNAESR1ESRRGEBP
Toremifene SCHEMBL1152000 0.87 HTR6 (1.00) HTR6LMNAESR1ESRRGEBP
SCHEMBL17164682 0.87 ESR1 (0.79) HTR6LMNAESR1ESRRGEBP

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
EP-1771179-A2 COMPOSITIONS COMPRISING 5-ALPHA REDUCTASE INHIBITORS, AND SERMs AND METHODS OF USE THEREOF GTX, Inc. (US) 2007-04-11 EP 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
WO-2006010162-A2 COMPOSITIONS COMPRISING 5-ALPHA REDUCTASE INHIBITORS, AND SERMs AND METHODS OF USE THEREOF GTX, INC. (US) 2006-01-26 WO disclosed
US-20060019989-A1 Compositions comprising 5-alpha reductase inhibitors and SERMs and methods of use thereof GTX, INC 2006-01-26 US disclosed
EP-1003496-B1 MEDICAMENT FOR TREATING PROSTATE INTRAEPITHELIAL NEOPLASIA UNIV TENNESSEE RES CORP (US) 2004-11-24 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
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
US-4696949-A ANTITUMOR AGENTS, ANTIESTROGENS FARMOS GROUP LTD. (FI) 1987-09-29 US disclosed
EP-0095875-B1 NOVEL TRI-PHENYL ALKANE AND ALKENE DERIVATIVES AND THEIR PREPARATION AND USE Farmos Group Ltd. (FI) 1986-09-10 EP disclosed
EP-0095875-A2 Novel tri-phenyl alkane and alkene derivatives and their preparation and use Farmos Group Ltd. (FI) 1983-12-07 EP 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 HTR6 3810/4885LMNA 215/4885ESR1 253/4885
US-20040186185-A1 Using toremifene and/or analog or metabolite; reducing incidence of premalignant lesions AR, OPRL1, NR5A1 HTR6 981/4885LMNA 547/4885ESR1 19/4885
US-20060287400-A1 benign prostatic hyperplasia, prostate intraepithelial neoplasia (PIN), or an abnormally high level of circulating prostate specific antibody (PSA), KLK3, ACP3, BPHL HTR6 4727/4885LMNA 297/4885ESR1 767/4885
US-20060019989-A1 Compositions comprising 5-alpha reductase inhibitors and SERMs and methods of use thereof NR5A1, SRD5A1, CYP19A1 HTR6 382/4885LMNA 1911/4885ESR1 62/4885
US-20040092602-A1 Administering toremifene OPRL1, OPRK1, NR5A1 HTR6 825/4885LMNA 472/4885ESR1 26/4885

“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.