SCHEMBL3868013

SCHEMBL3868013

Cc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 1.00
ESR1 P03372 5/20 0.84
ESR2 Q92731 4/20 0.84
LMNA P02545 3/20 0.84
MEN1 O00255 2/20 0.84
GAA P10253 2/20 0.84
MAPT P10636 2/20 0.84
KMT2A Q03164 2/20 0.84
KDM4E B2RXH2 1/20 0.84
POLB P06746 1/20 0.84
G6PD P11413 1/20 0.84
PKM P14618 1/20 0.84
MAPK1 P28482 1/20 0.84
RAB9A P51151 1/20 0.84
DAB2IP Q5VWQ8 1/20 0.84
ADCY10 Q96PN6 1/20 0.84
TDP1 Q9NUW8 1/20 0.84
SHBG P04278 2/20 0.77
CYP1A2 P05177 3/20 0.73
HSD17B10 Q99714 3/20 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
SCHEMBL12088879 1.00 CYP19A1 (1.00) CYP19A1ESR1ESR2LMNAMEN1
SCHEMBL2617357 1.00 CYP19A1 (1.00) CYP19A1ESR1ESR2LMNAMEN1
SCHEMBL12820981 1.00 CYP19A1 (1.00) CYP19A1ESR1ESR2LMNAMEN1
SCHEMBL5025553 1.00 CYP19A1 (1.00) CYP19A1ESR1ESR2LMNAMEN1
SCHEMBL6010005 0.91 ESR1 (1.00) CYP19A1ESR1ESR2LMNAMEN1
SCHEMBL225053 0.91 ESR1 (1.00) CYP19A1ESR1ESR2LMNAMEN1
SCHEMBL15491309 0.91 ESR1 (1.00) CYP19A1ESR1ESR2LMNAMEN1
SCHEMBL12027476 0.91 ESR1 (1.00) CYP19A1ESR1ESR2LMNAMEN1
SCHEMBL13123058 0.91 ESR1 (1.00) CYP19A1ESR1ESR2LMNAMEN1
SCHEMBL225052 0.91 ESR1 (1.00) CYP19A1ESR1ESR2LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014131891-A1 USE OF FETUIN-B FOR CULTURE OF OOCYTES Rheinisch-Westfälische Technische Hochschule Aachen (DE) 2014-09-04 WO claimed
US-20050192258-A1 Antiangiogenic agents AGOSTON GREGORY E (US) 2005-09-01 US claimed
CN-111647037-A 17-amide estrone compound and preparation method and application thereof 南宁师范大学 2020-09-11 CN disclosed
WO-2014131891-A1 USE OF FETUIN-B FOR CULTURE OF OOCYTES Rheinisch-Westfälische Technische Hochschule Aachen (DE) 2014-09-04 WO disclosed
US-8273383-B2 Administration of 2-methoxyestradiol or it derivatives such as colchicine or combretastatin A-4; for treating and/or preventing a pregnancy related disease; safer and more effective CHILDREN'S MEDICAL CENTER CORPORATION (US) 2012-09-25 US disclosed
EP-1906969-A4 METHODS FOR TREATING AND DIAGNOSING COMPLICATIONS OF PREMATURE BIRTH CHILDRENS MEDICAL CENTER (US) 2009-07-29 EP disclosed
US-7538100-B2 17α-alkyl-17β-oxy-estratrienes and intermediate products for their production, use of the 17α-alkyl-17β-oxy-estratrienes for the production of pharmaceutical agents as well as pharmaceutical preparations BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-05-26 US disclosed
US-20080318241-A1 Methods and Systems for Detecting Antiangiogenesis THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-12-25 US disclosed
US-20080160105-A1 Methods and Compositions For Treatment of Preeclampsia CHILDREN'S MEDICAL CENTER CORPORATION (US) 2008-07-03 US disclosed
EP-1906969-A2 METHODS FOR TREATING AND DIAGNOSING COMPLICATIONS OF PREMATURE BIRTH CHILDREN'S MEDICAL CENTER CORPORATION (US) 2008-04-09 EP disclosed
WO-2007011926-A2 METHODS FOR TREATING AND DIAGNOSING COMPLICATIONS OF PREMATURE BIRTH CHILDREN'S MEDICAL CENTER CORPORATION (US) 2007-01-25 WO disclosed
US-20060009436-A1 17alpha-alkyl-17beta-oxy-estratrienes and intermediate products for their production, use of the 17alpha-alkyl-17beta-oxy-estratrienes for the production of pharmaceutical agents as well as pharmaceutical preparations BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2006-01-12 US disclosed
US-20050192258-A1 Antiangiogenic agents AGOSTON GREGORY E (US) 2005-09-01 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-20060009436-A1 17alpha-alkyl-17beta-oxy-estratrienes and intermediate products for their production, use of the 17alpha-alkyl-17beta-oxy-estratrienes for the production of pharmaceutical agents as well as pharmaceutical preparations CYP19A1, HSD17B11, CYP17A1 CYP19A1 1/4885ESR1 22/4885ESR2 27/4885
US-20050192258-A1 Antiangiogenic agents VEGFA, PGF, TEK CYP19A1 21/4885ESR1 150/4885ESR2 13/4885
US-20080160105-A1 Methods and Compositions For Treatment of Preeclampsia PGF, SHBG, HSD17B11 CYP19A1 26/4885ESR1 107/4885ESR2 32/4885

“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.