SCHEMBL3972093

SCHEMBL3972093

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

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 0.82
ESR2 Q92731 5/20 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
SHBG P04278 2/20 0.75
CYP1A1 P04798 2/20 0.73
CYP1B1 Q16678 2/20 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
SCHEMBL3972095 1.00 CYP19A1 (1.00) CYP19A1ESR1ESR2MEN1LMNA
SCHEMBL15491309 0.90 ESR1 (1.00) CYP19A1ESR1ESR2MEN1LMNA
SCHEMBL29565170 0.90 ESR1 (1.00) CYP19A1ESR1ESR2MEN1LMNA
SCHEMBL13123058 0.90 ESR1 (1.00) CYP19A1ESR1ESR2MEN1LMNA
SCHEMBL12027476 0.90 ESR1 (1.00) CYP19A1ESR1ESR2MEN1LMNA
SCHEMBL225053 0.90 ESR1 (1.00) CYP19A1ESR1ESR2MEN1LMNA
SCHEMBL6010005 0.90 ESR1 (1.00) CYP19A1ESR1ESR2MEN1LMNA
SCHEMBL225052 0.90 ESR1 (1.00) CYP19A1ESR1ESR2MEN1LMNA
SCHEMBL14498991 0.87 CYP19A1 (1.00) CYP19A1ESR1ESR2MEN1LMNA
SCHEMBL4206797 0.87 CYP19A1 (1.00) CYP19A1ESR1ESR2MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1640009-A1 Estrogenic compounds as antimitotic agents CHILDREN'S MEDICAL CENTER CORPORATION (US) 2006-03-29 EP claimed
EP-0713393-B1 ESTROGENIC COMPOUNDS AS ANTI-ANGIOGENESIS AGENTS CHILDRENS MEDICAL CENTER (US) 2005-12-21 EP claimed
US-20040223983-A1 Pharmaceutical preparations, use of these preparations and process for increasing the biovailability of pharmaceutical substances to be administered perorally BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-11-11 US claimed
US-20040072813-A1 Estrogenic compounds as anti-mitotic agents D AMATO ROBERT JOHN (US) 2004-04-15 US claimed
US-20030236408-A1 Estrogenic compounds as anti-mitotic agents THE CHILDREN'S MEDICAL CENTER CORPORATION 2003-12-25 US claimed
US-20030195180-A1 Estrogenic compounds as anti-mitotic agents D AMATO ROBERT JOHN (US) 2003-10-16 US claimed
US-20030096800-A1 Estrogenic compounds as anti-mitotic agents D AMATO ROBERT JOHN (US) 2003-05-22 US claimed
US-20020165212-A1 Estrogenic compounds as anti-mitotic agents THE CHILDREN'S MEDICAL CENTER CORPORATION 2002-11-07 US claimed
US-20020119959-A1 Estrogenic compounds as anti-mitotic agents D AMATO ROBERT JOHN (US) 2002-08-29 US claimed
EP-0713393-A4 ESTROGENIC COMPOUNDS AS ANTI-MITOTIC AGENTS CHILDRENS MEDICAL CENTER (US) 2000-10-25 EP claimed
US-5661143-A INHIBITS (DE)POLYMERIZATION OF TUBULIN TO FORM CELLULAR MICROTUBES; ANTICARCINOGENIC,-TUMOR, INFLAMMATORY AND WOUND HEALING AGENTS; IMMUNOLOGY; ANGIOGENESIS INHIBITORS THE CHILDREN'S MEDICAL CENTER CORP. (US) 1997-08-26 US claimed
EP-0713393-A1 ESTROGENIC COMPOUNDS AS ANTI-MITOTIC AGENTS The Children's Medical Center Corporation (US) 1996-05-29 EP claimed
US-5504074-A ADMINISTERING SUBSTITUTED ESTRANES TO SUPPRESS VASCULARIZATION CHILDREN'S MEDICAL CENTER CORPORATION (US) 1996-04-02 US claimed
WO-1995004535-A1 ESTROGENIC COMPOUNDS AS ANTI-MITOTIC AGENTS THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 1995-02-16 WO claimed
US-4605649-A Method of treatment of estrogen deficiency disease LIEHR JOACHIM G 1986-08-12 US claimed
EP-0147155-A2 Improved method of preparing 2-Fluoro-17beta-estradiol ELI LILLY AND COMPANY (US) 1985-07-03 EP claimed
US-4522758-A Method of preparing 2-fluoro-17β-estradiol ELI LILLY AND COMPANY (US) 1985-06-11 US claimed
EP-0117117-A1 Improvements in or relating to the treatment of estrogen deficiency conditions Liehr, Joachim Georg (US) 1984-08-29 EP 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-0117117-A1 Improvements in or relating to the treatment of estrogen deficiency conditions Liehr, Joachim Georg (US) 1984-08-29 EP 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 (6 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-20040072813-A1 Estrogenic compounds as anti-mitotic agents NUMA1, CCNB1, CCNB3 CYP19A1 54/4885ESR1 47/4885ESR2 50/4885
US-20020165212-A1 Estrogenic compounds as anti-mitotic agents NUMA1, CCNB1, CCNB3 CYP19A1 54/4885ESR1 47/4885ESR2 50/4885
US-20020119959-A1 Estrogenic compounds as anti-mitotic agents NUMA1, CCNB1, CCNB3 CYP19A1 54/4885ESR1 47/4885ESR2 50/4885
US-20030236408-A1 Estrogenic compounds as anti-mitotic agents NUMA1, CCNB1, CCNB3 CYP19A1 54/4885ESR1 47/4885ESR2 50/4885
US-20030195180-A1 Estrogenic compounds as anti-mitotic agents NUMA1, CCNB1, CCNB3 CYP19A1 54/4885ESR1 47/4885ESR2 50/4885
US-20030096800-A1 Estrogenic compounds as anti-mitotic agents NUMA1, CCNB1, CCNB3 CYP19A1 54/4885ESR1 47/4885ESR2 50/4885

“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.