SCHEMBL1657345

SCHEMBL1657345

C=C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O[Si](C)(C)C(C)(C)C)ccc4[C@H]3CC[C@@]21C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.53
ESR2 Q92731 4/20 0.53
NR3C1 P04150 5/20 0.52
LMNA P02545 4/20 0.52
PGR P06401 3/20 0.52
CYP3A4 P08684 3/20 0.52
SLC6A2 P23975 2/20 0.52
SLC6A4 P31645 2/20 0.52
SLC6A3 Q01959 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 1/20 0.52
HIF1A Q16665 1/20 0.52
CNR1 P21554 1/20 0.52
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
STS P08842 4/20 0.49
NR3C2 P08235 1/20 0.48
SLC22A2 O15244 1/20 0.46
NR1I2 O75469 1/20 0.46

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
SCHEMBL8638232 0.84 STS (0.51) ESR1ESR2NR3C1LMNAPGR
SCHEMBL31508411 0.83 ESR1 (0.50) ESR1ESR2NR3C1LMNAPGR
SCHEMBL1656677 0.83 ESR1 (0.63) ESR1ESR2NR3C1LMNAPGR
SCHEMBL4645148 0.83 ESR1 (0.63) ESR1ESR2NR3C1LMNAPGR
SCHEMBL13336961 0.82 LMNA (0.50) ESR1ESR2NR3C1LMNAPGR
SCHEMBL6569494 0.82 ESR1 (0.40) ESR1ESR2NR3C1LMNAPGR
SCHEMBL12269944 0.82 STS (0.53) ESR1NR3C1LMNAPGRCYP3A4
SCHEMBL31508300 0.82 STS (0.53) ESR1NR3C1LMNAPGRCYP3A4
SCHEMBL11688794 0.81 ESR1 (0.70) ESR1ESR2NR3C1LMNAPGR
SCHEMBL12269980 0.81 STS (0.59) ESR1NR3C1LMNAPGRCYP3A4

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2305694-A2 Novel anti-estrogenic steroids, and associated pharmaceutical compositions and methods of use SRI International (US) 2011-04-06 EP disclosed
EP-1847548-A2 Novel anti-estrogenic steroids, and associated pharmaceutical compositions and methods of use Sri International (US) 2007-10-24 EP disclosed
EP-1405860-B1 Estrone sulfamate inhibitors of estrone sulfatase, and associated pharmaceutical compositions and methods of use STANFORD RES INST INT (US) 2007-02-14 EP disclosed
US-6747018-B2 TREATMENT OF ESTROGEN-DEPENDENT DISORDERS; PREFERRED COMPOUNDS HAVE 1,3,5-ESTRATRIENE NUCLEUS, AND ARE SUBSTITUTED AT C-17 OR C-11 WITH MOLECULAR MOIETY WHICH RENDERS COMPOUNDS EFFECTIVE TO BLOCK BINDING OF ESTROGEN TO ITS RECEPTOR SRI INTERNATIONAL 2004-06-08 US disclosed
EP-1405860-A1 Estrone sulfamate inhibitors of estrone sulfatase, and associated pharmaceutical compositions and methods of use SRI INTERNATIONAL (US) 2004-04-07 EP disclosed
US-20030153543-A1 Novel anti-estrogenic steroids, and associated pharmaceutical compositions and methods of use TANABE MASATO (US) 2003-08-14 US disclosed
EP-1310509-A2 Novel anti-estrogenic steroids, and associated pharmaceutical compositions and methods of use Sri International (US) 2003-05-14 EP disclosed
US-6548491-B2 For therapy of conditions or diseases that are estrogen-dependent, i.e., are estrogen-induced or estrogen-stimulated SRI INTERNATIONAL 2003-04-15 US disclosed
US-6503896-B1 17-Desoxy-1,3,5-estratriene derivatives; postmenopause, osteoporosis, central nervous system disorders; anticarcinogenic and hypotensive agents SRI INTERNATIONAL 2003-01-07 US disclosed
US-6455517-B1 FOR THERAPY OF CONDITIONS OR DISEASES THAT ARE ESTROGEN-DEPENDENT, I.E., ARE ESTROGEN-INDUCED OR ESTROGEN-STIMULATED SRI INTERNATIONAL 2002-09-24 US disclosed
US-20020032180-A1 Novel anti-estrogenic steroids, and associated pharmaceutical compositions and methods of use TANABE MASATO (US) 2002-03-14 US disclosed
US-20020032181-A1 Anti-estrogenic steroids, and associated pharmaceutical compositions and methods of use TANABE MASATO (US) 2002-03-14 US disclosed
US-6281205-B1 1,3,5(10)-ESTRATRIENE NUCLEUS, SUBSTITUTED AT THE C-17 POSITION WITH AN AMINE AND ETHER-CONTAINING GROUP SRI INTERNATIONAL 2001-08-28 US disclosed
EP-1056768-A2 NOVEL ANTI-ESTROGENIC STEROIDS, AND ASSOCIATED PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE SRI INTERNATIONAL (US) 2000-12-06 EP disclosed
US-6054446-A 17-SUBSTITUTED-17-DESOXY-1,3,5-ESTRATRIENES. SRI INTERNATIONAL (US) 2000-04-25 US disclosed
US-6046186-A ANTITUMOR AGENTS, ANTICARCINOGENIC AGENTS SRI INTERNATIONAL (US) 2000-04-04 US disclosed
WO-1999033859-A2 NOVEL ANTI-ESTROGENIC STEROIDS, AND ASSOCIATED PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE SRI INTERNATIONAL (US) 1999-07-08 WO disclosed
US-5861388-A TREATMENT OF ESTROGEN DEPENDENT DISORDERS AS FOR EXAMPLEBREAST CANCER SRI INTERNATIONAL (US) 1999-01-19 US disclosed
US-5763432-A TREATMENT OF ESTROGEN-DEPENDENT DISORDERS SRI INTERNATIONAL (US) 1998-06-09 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 (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-20020032181-A1 Anti-estrogenic steroids, and associated pharmaceutical compositions and methods of use HSD17B11, ESR2, ESRRA ESR1 6/4885ESR2 2/4885NR3C1 23/4885
US-20030153543-A1 Novel anti-estrogenic steroids, and associated pharmaceutical compositions and methods of use HSD17B11, ESR2, ESRRA ESR1 5/4885ESR2 2/4885NR3C1 26/4885
US-20020032180-A1 Novel anti-estrogenic steroids, and associated pharmaceutical compositions and methods of use HSD17B11, ESR2, ESRRA ESR1 5/4885ESR2 2/4885NR3C1 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.