SCHEMBL4061425

SCHEMBL4061425

C[C@]12CC[C@@H]3c4cc(N)c(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.82
ESR2 Q92731 4/20 0.82
MEN1 O00255 2/20 0.82
LMNA P02545 2/20 0.82
GAA P10253 2/20 0.82
MAPT P10636 2/20 0.82
KMT2A Q03164 2/20 0.82
KDM4E B2RXH2 1/20 0.82
POLB P06746 1/20 0.82
G6PD P11413 1/20 0.82
PKM P14618 1/20 0.82
MAPK1 P28482 1/20 0.82
RAB9A P51151 1/20 0.82
DAB2IP Q5VWQ8 1/20 0.82
ADCY10 Q96PN6 1/20 0.82
TDP1 Q9NUW8 1/20 0.82
CYP19A1 P11511 5/20 0.77
SHBG P04278 2/20 0.75
CYP1A2 P05177 2/20 0.72
CYP3A4 P08684 2/20 0.72

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
SCHEMBL5851300 1.00 ESR1 (0.82) ESR1ESR2MEN1LMNAGAA
SCHEMBL29565170 0.90 ESR1 (1.00) ESR1ESR2MEN1LMNAGAA
SCHEMBL225052 0.90 ESR1 (1.00) ESR1ESR2MEN1LMNAGAA
SCHEMBL13123058 0.90 ESR1 (1.00) ESR1ESR2MEN1LMNAGAA
SCHEMBL12027476 0.90 ESR1 (1.00) ESR1ESR2MEN1LMNAGAA
SCHEMBL15491309 0.90 ESR1 (1.00) ESR1ESR2MEN1LMNAGAA
SCHEMBL225053 0.90 ESR1 (1.00) ESR1ESR2MEN1LMNAGAA
SCHEMBL6010005 0.90 ESR1 (1.00) ESR1ESR2MEN1LMNAGAA
SCHEMBL3868013 0.87 CYP19A1 (1.00) ESR1ESR2MEN1LMNAGAA
SCHEMBL4206797 0.87 CYP19A1 (1.00) ESR1ESR2MEN1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050192258-A1 Antiangiogenic agents AGOSTON GREGORY E (US) 2005-09-01 US claimed
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-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-7135581-B2 Antiangiogenic agents ENTREMED, INC. (US) 2006-11-14 US disclosed
US-20050192258-A1 Antiangiogenic agents AGOSTON GREGORY E (US) 2005-09-01 US disclosed
WO-2003073985-A2 NEW METHODS OF USING ANTIANGIOGENIC AGENTS ENTREMED, INC. (US) 2003-09-12 WO disclosed
US-20020082433-A1 Antiangiogenic agents ENTREMED, INC. 2002-06-27 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-20050192258-A1 Antiangiogenic agents VEGFA, PGF, TEK ESR1 150/4885ESR2 13/4885MEN1 1296/4885
US-20020082433-A1 Antiangiogenic agents VEGFA, PGF, TEK ESR1 142/4885ESR2 15/4885MEN1 844/4885
US-20080160105-A1 Methods and Compositions For Treatment of Preeclampsia PGF, SHBG, HSD17B11 ESR1 107/4885ESR2 32/4885MEN1 509/4885

“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.