SCHEMBL1657388

SCHEMBL1657388

C=C[C@]1(O)CC[C@H]2[C@@H]3[C@H](C)Cc4cc(O)ccc4[C@H]3CC[C@@]21C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 7/20 0.47
ESR1 P03372 7/20 0.46
NR3C1 P04150 3/20 0.46
ESR2 Q92731 4/20 0.44
CYP3A4 P08684 2/20 0.44
ABCB11 O95342 2/20 0.44
NR3C2 P08235 1/20 0.44
SLC22A2 O15244 1/20 0.44
NR1I2 O75469 1/20 0.44
SHBG P04278 1/20 0.44
PGR P06401 1/20 0.44
HTR1A P08908 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
AR P10275 1/20 0.44
ADRB3 P13945 1/20 0.44
CYP2B6 P20813 1/20 0.44
TBXA2R P21731 1/20 0.44
UGT1A1 P22309 1/20 0.44
SLC6A2 P23975 1/20 0.44
PDE4A P27815 1/20 0.44

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
SCHEMBL10602341 0.88 ESR1 (0.48) STSESR1NR3C1ESR2CYP3A4
SCHEMBL10629838 0.88 ESR1 (0.48) STSESR1NR3C1ESR2CYP3A4
SCHEMBL10599009 0.88 ESR1 (0.48) STSESR1NR3C1ESR2CYP3A4
SCHEMBL10626517 0.88 ESR1 (0.48) STSESR1NR3C1ESR2CYP3A4
SCHEMBL2066330 0.82 ESR1 (0.66) STSESR1NR3C1ESR2CYP3A4
SCHEMBL2066331 0.82 ESR1 (0.66) STSESR1NR3C1ESR2CYP3A4
SCHEMBL5713538 0.82 ESR1 (0.66) STSESR1NR3C1ESR2CYP3A4
SCHEMBL9019408 0.82 ESR1 (0.66) STSESR1NR3C1ESR2CYP3A4
SCHEMBL10629831 0.81 STS (0.44) STSESR1NR3C1ESR2CYP3A4
SCHEMBL10603122 0.81 STS (0.44) STSESR1NR3C1ESR2CYP3A4

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 15 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
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
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
WO-1999033859-A9 NOVEL ANTI-ESTROGENIC STEROIDS, AND ASSOCIATED PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE STANFORD RES INST INT (US) 1999-09-23 WO disclosed
WO-1999033859-A2 NOVEL ANTI-ESTROGENIC STEROIDS, AND ASSOCIATED PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE SRI INTERNATIONAL (US) 1999-07-08 WO 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 STS 597/4885ESR1 6/4885NR3C1 23/4885
US-20030153543-A1 Novel anti-estrogenic steroids, and associated pharmaceutical compositions and methods of use HSD17B11, ESR2, ESRRA STS 559/4885ESR1 5/4885NR3C1 26/4885
US-20020032180-A1 Novel anti-estrogenic steroids, and associated pharmaceutical compositions and methods of use HSD17B11, ESR2, ESRRA STS 559/4885ESR1 5/4885NR3C1 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.