SCHEMBL4903623

SCHEMBL4903623

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 16/20 1.00
ESR1 P03372 2/20 0.73
CYP3A4 P08684 2/20 0.73
ESR2 Q92731 2/20 0.73
SLC22A2 O15244 1/20 0.73
NR1I2 O75469 1/20 0.73
ABCB11 O95342 1/20 0.73
NR3C1 P04150 1/20 0.73
SHBG P04278 1/20 0.73
PGR P06401 1/20 0.73
HTR1A P08908 1/20 0.73
ADORA3 P0DMS8 1/20 0.73
AR P10275 1/20 0.73
ADRB3 P13945 1/20 0.73
CYP2B6 P20813 1/20 0.73
TBXA2R P21731 1/20 0.73
UGT1A1 P22309 1/20 0.73
SLC6A2 P23975 1/20 0.73
PDE4A P27815 1/20 0.73
ADORA2A P29274 1/20 0.73

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
SCHEMBL4903619 1.00 STS (1.00) STSESR1CYP3A4ESR2SLC22A2
SCHEMBL14515129 0.92 STS (0.85) STSESR1CYP3A4ESR2SLC22A2
SCHEMBL31508217 0.90 STS (0.81) STSESR1CYP3A4ESR2SLC22A2
SCHEMBL31508390 0.89 STS (0.80) STSESR1CYP3A4ESR2SLC22A2
SCHEMBL7778060 0.89 STS (0.88) STS
SCHEMBL27047066 0.88 STS (0.79) STSESR1CYP3A4ESR2SLC22A2
SCHEMBL3051243 0.88 STS (0.84) STSESR1CYP3A4ESR2SLC22A2
SCHEMBL13478102 0.88 STS (0.84) STSESR1CYP3A4ESR2SLC22A2
SCHEMBL15233086 0.88 STS (0.78) STSESR1CYP3A4ESR2SLC22A2
SCHEMBL3051244 0.88 STS (0.84) STSESR1CYP3A4ESR2SLC22A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102489273-B Preparation method of magnetic beads of dendritic molecular imprinting polymer on surface of estrogenic nano silica gel UNIV NANJING MEDICAL 2013-08-28 CN claimed
CN-102169109-B Method for preparing estrogen substitution template molecular imprinting solid phase micro extraction head UNIV NANJING MEDICAL 2013-01-23 CN claimed
CN-102489273-A Preparation method of magnetic beads of dendritic molecular imprinting polymer on surface of estrogenic nano silica gel UNIV NANJING MEDICAL 2012-06-13 CN claimed
CN-102169109-A Method for preparing estrogen substitution template molecular imprinting solid phase micro extraction head UNIV NANJING MEDICAL 2011-08-31 CN claimed
CN-101565485-B Method for preparing molecularly imprinted polymers of ethinylestradiol analogue UNIV NANJING MEDICAL 2011-01-26 CN claimed
CN-101565485-A Method for preparing molecularly imprinted polymers of ethinylestradiol analogue UNIV NANJING MEDICAL (CN) 2009-10-28 CN claimed
CN-102489273-B Preparation method of magnetic beads of dendritic molecular imprinting polymer on surface of estrogenic nano silica gel UNIV NANJING MEDICAL 2013-08-28 CN disclosed
WO-2013102512-A1 METHOD AND ARRANGEMENT FOR A WATER TREATMENT SIEMENS AKTIENGESELLSCHAFT (DE) 2013-07-11 WO disclosed
EP-2610221-A1 Method and arrangement for a water treatment Siemens Aktiengesellschaft (DE) 2013-07-03 EP disclosed
CN-102169109-B Method for preparing estrogen substitution template molecular imprinting solid phase micro extraction head UNIV NANJING MEDICAL 2013-01-23 CN disclosed
CN-102489273-A Preparation method of magnetic beads of dendritic molecular imprinting polymer on surface of estrogenic nano silica gel UNIV NANJING MEDICAL 2012-06-13 CN disclosed
CN-102169109-A Method for preparing estrogen substitution template molecular imprinting solid phase micro extraction head UNIV NANJING MEDICAL 2011-08-31 CN disclosed
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-20080293683-A1 Hormone Replacement Therapy UNIVERSITY OF KANSAS MEDICAL CENTER (US) 2008-11-27 US disclosed
EP-1446128-A1 USE OF ESTROGENIC COMPOUNDS IN COMBINATION WITH PROGESTOGENIC COMPOUNDS IN HORMONE-REPLACEMENT THERAPY Pantarhei Bioscience B.V. (NL) 2004-08-18 EP disclosed
WO-2003041718-A1 USE OF ESTROGENIC COMPOUNDS IN COMBINATION WITH PROGESTOGENIC COMPOUNDS IN HORMONE-REPLACEMENT THERAPY PANTARHEI BIOSCIENCE B.V. (NL) 2003-05-22 WO disclosed
US-3983112-A ANTIFERTILITY AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1976-09-28 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 (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-20080293683-A1 Hormone Replacement Therapy ESR2, SHBG, ESRRG STS 654/4885ESR1 4/4885CYP3A4 712/4885

“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.