SCHEMBL7166132

SCHEMBL7166132

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

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 8/20 0.73
ESR1 P03372 6/20 0.67
ESR2 Q92731 3/20 0.67
NR3C1 P04150 3/20 0.67
CYP3A4 P08684 2/20 0.67
ABCB11 O95342 2/20 0.67
SLC22A2 O15244 1/20 0.67
NR1I2 O75469 1/20 0.67
SHBG P04278 1/20 0.67
PGR P06401 1/20 0.67
HTR1A P08908 1/20 0.67
ADORA3 P0DMS8 1/20 0.67
AR P10275 1/20 0.67
ADRB3 P13945 1/20 0.67
CYP2B6 P20813 1/20 0.67
TBXA2R P21731 1/20 0.67
UGT1A1 P22309 1/20 0.67
SLC6A2 P23975 1/20 0.67
PDE4A P27815 1/20 0.67
ADORA2A P29274 1/20 0.67

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
SCHEMBL1656550 1.00 STS (0.73) STSESR1ESR2NR3C1CYP3A4
SCHEMBL4572560 1.00 STS (0.73) STSESR1ESR2NR3C1CYP3A4
SCHEMBL9148760 0.89 STS (0.73) STSESR1ESR2NR3C1CYP3A4
SCHEMBL27885334 0.89 STS (0.73) STSESR1ESR2NR3C1CYP3A4
SCHEMBL11799891 0.88 STS (0.69) STSESR1ESR2NR3C1CYP3A4
SCHEMBL11796369 0.88 STS (0.69) STSESR1ESR2NR3C1CYP3A4
SCHEMBL22181611 0.88 STS (0.71) STSESR1ESR2NR3C1CYP3A4
SCHEMBL27047072 0.87 STS (0.71) STSESR1ESR2NR3C1CYP3A4
SCHEMBL10600920 0.87 STS (0.70) STSESR1ESR2NR3C1CYP3A4
SCHEMBL9150846 0.87 ESR1 (0.72) STSESR1ESR2NR3C1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6476011-B1 Methods for introducing an estrogenic compound STERIX LIMITED (GB) 2002-11-05 US claimed
CN-101565485-B Method for preparing molecularly imprinted polymers of ethinylestradiol analogue UNIV NANJING MEDICAL 2011-01-26 CN disclosed
CN-101565485-A Method for preparing molecularly imprinted polymers of ethinylestradiol analogue UNIV NANJING MEDICAL (CN) 2009-10-28 CN 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-20020032180-A1 Novel anti-estrogenic steroids, and associated pharmaceutical compositions and methods of use TANABE MASATO (US) 2002-03-14 US disclosed
EP-1042354-A2 ESTRONE SULFAMATE INHIBITORS OF ESTRONE SULFATASE, AND ASSOCIATED PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE SRI INTERNATIONAL (US) 2000-10-11 EP disclosed
WO-1999033858-A9 ESTRONE SULFAMATE INHIBITORS OF ESTRONE SULFATASE, AND ASSOCIATED PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE STANFORD RES INST INT (US) 1999-10-28 WO disclosed
WO-1999033858-A2 ESTRONE SULFAMATE INHIBITORS OF ESTRONE SULFATASE, 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 (1 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-20020032180-A1 Novel anti-estrogenic steroids, and associated pharmaceutical compositions and methods of use HSD17B11, ESR2, ESRRA STS 559/4885ESR1 5/4885ESR2 2/4885

“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.