SCHEMBL712443

SCHEMBL712443

C[C@@]12CCC[C@H]1[C@@H]1CCc3cc(O)ccc3[C@H]1CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 5/20 1.00
HSD17B1 P14061 2/20 0.68
STS P08842 5/20 0.65
ESR1 P03372 9/20 0.64
ESR2 Q92731 7/20 0.64
HSD17B10 Q99714 4/20 0.64
LMNA P02545 4/20 0.64
PGR P06401 4/20 0.64
AR P10275 4/20 0.64
SLC6A4 P31645 4/20 0.64
SLC6A3 Q01959 4/20 0.64
SERPINA6 P08185 3/20 0.64
SNCA P37840 3/20 0.64
HIF1A Q16665 3/20 0.64
CYP3A4 P08684 3/20 0.64
HTR2B P41595 3/20 0.64
NR3C1 P04150 3/20 0.64
AKR1B10 O60218 2/20 0.64
CYP1A2 P05177 2/20 0.64
MAPT P10636 2/20 0.64

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
SCHEMBL7864592 1.00 SHBG (1.00) SHBGHSD17B1STSESR1ESR2
SCHEMBL29643366 1.00 SHBG (1.00) SHBGHSD17B1STSESR1ESR2
SCHEMBL172746 1.00 SHBG (1.00) SHBGHSD17B1STSESR1ESR2
SCHEMBL28373123 0.90 SHBG (0.81) SHBGHSD17B1STSESR1ESR2
SCHEMBL6695130 0.86 SHBG (0.75) SHBGHSD17B1STSESR1ESR2
SCHEMBL5143409 0.85 SHBG (0.74) SHBGHSD17B1STSESR1ESR2
SCHEMBL8606752 0.84 SHBG (0.72) SHBGHSD17B1STSESR1ESR2
SCHEMBL23027370 0.84 SHBG (0.71) SHBGHSD17B1STSESR1ESR2
SCHEMBL2232239 0.84 STS (0.74) SHBGHSD17B1STSESR1ESR2
SCHEMBL23645588 0.84 STS (0.74) SHBGHSD17B1STSESR1ESR2

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 293 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220193095-A9 PHARMACEUTICAL COMPOSITIONS Shenzhen Pharmacin Co., Ltd. (CN) 2022-06-23 US claimed
CN-113473974-A Pharmaceutical composition 深圳市药欣生物科技有限公司 2021-10-01 CN claimed
US-20200237784-A1 PHARMACEUTICAL COMPOSITIONS SHENZHEN PHARMACIN CO LTD (CN) 2020-07-30 US claimed
WO-2014131891-A1 USE OF FETUIN-B FOR CULTURE OF OOCYTES Rheinisch-Westfälische Technische Hochschule Aachen (DE) 2014-09-04 WO claimed
US-20090258040-A1 STEROID TREATMENT FOR HOT FLASHES PHERIN PHARMACEUTICALS, INC. (US) 2009-10-15 US claimed
US-20090124587-A1 METHODS FOR TREATING CANCER USING 17alpha-HYDROXYLASE/C17,20-LYASE INHIBITORS AUERBACH ALAN H 2009-05-14 US claimed
WO-2009009132-A1 USE OF 17ALPHA-HYDROXYLASE/C17, 20-LYASE INHIBITORS FOR THE TREATMENT OF CANCER COUGAR BIOTECHNOLOGY, INC. (US) 2009-01-15 WO claimed
US-7078395-B1 Methods for treating or preventing cancer by preventing, inhibiting or arresting cell cycling STERIX LIMITED (GB) 2006-07-18 US claimed
US-20060122161-A1 Methods for treating or preventing cancer by preventing, inhibiting, or arresting cell cycling STERIX LIMITED 2006-06-08 US claimed
EP-1237902-B1 HALOGENATED SULPHAMATE-, PHOSPHONATE-, THIOPHOSPHONATE-, SULPHONATE- AND SULPHONAMIDE- COMPOUNDS AS INHIBITORS OF STEROID SULPHATASE STERIX LTD (GB) 2005-11-02 EP claimed
EP-0633893-B1 17-SUBSTITUTED STEROIDS USEFUL IN CANCER TREATMENT BTG INT LTD (GB) 1999-11-24 EP claimed
EP-0862577-B1 SULPHAMATE DERIVATIVES OF 1,3,5(10)-ESTRATRIENE DERIVATIVES, METHODS OF PRODUCING THEM AND PHARMACEUTICAL COMPOUNDS CONTAINING THEM JENAPHARM GMBH (DE) 1999-04-14 EP claimed
EP-0891188-A1 STEROIDS AS NEUROCHEMICAL INITIATORS OF CHANGE IN HUMAN BLOOD LEVELS OF LH OR FSH Pherin Pharmaceuticals, Inc. (US) 1999-01-20 EP claimed
JP-2742331-B2 1998-04-22 JP claimed
US-5705495-A STEROIDS WITH ESTROGENIC EFFECT JENAPHARM GMBH & CO. KG. (DE) 1998-01-06 US claimed
EP-0715517-A1 ESTRENE STEROIDS AS NEUROCHEMICAL INITIATORS OF CHANGE IN HUMAN HYPOTHALAMIC FUNCTION AND RELATED PHARMACEUTICAL COMPOSITIONS AND METHODS PHERIN CORPORATION (US) 1996-06-12 EP claimed
CN-1101648-A Estrene steroids as neurochemical initiators of change in human hypothalamic function and related pharmaceutical PHERIN CORP (US) 1995-04-19 CN claimed
EP-0633893-A1 17-SUBSTITUTED STEROIDS USEFUL IN CANCER TREATMENT BRITISH TECHNOLOGY GROUP LTD (GB) 1995-01-18 EP claimed
WO-1994028903-A1 ESTRENE STEROIDS AS NEUROCHEMICAL INITIATORS OF CHANGE IN HUMAN HYPOTHALAMIC FUNCTION AND RELATED PHARMACEUTICAL COMPOSITIONS AND METHODS PHERIN CORPORATION (US) 1994-12-22 WO claimed
WO-1993020097-A1 17-SUBSTITUTED STEROIDS USEFUL IN CANCER TREATMENT BRITISH TECHNOLOGY GROUP LTD. (GB) 1993-10-14 WO claimed

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-20090124587-A1 METHODS FOR TREATING CANCER USING 17alpha-HYDROXYLASE/C17,20-LYASE INHIBITORS CYP17A1, CYP21A2, HSD17B11 SHBG 94/4885HSD17B1 4/4885STS 118/4885
US-20220193095-A9 PHARMACEUTICAL COMPOSITIONS LIPA, LIPC, MGLL SHBG 1170/4885HSD17B1 418/4885STS 1437/4885
US-20090258040-A1 STEROID TREATMENT FOR HOT FLASHES CYP19A1, SHBG, HSD17B11 SHBG 2/4885HSD17B1 19/4885STS 209/4885
US-20200237784-A1 PHARMACEUTICAL COMPOSITIONS LIPA, LIPC, MGLL SHBG 1170/4885HSD17B1 418/4885STS 1437/4885
US-20060122161-A1 Methods for treating or preventing cancer by preventing, inhibiting, or arresting cell cycling CCAR2, CCNO, CCNY SHBG 796/4885HSD17B1 130/4885STS 1679/4885

“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.