SCHEMBL4206797

SCHEMBL4206797

C[C@]12CC[C@@H]3c4cc(Br)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 0.84
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
SCHEMBL14498991 1.00 CYP19A1 (1.00) CYP19A1ESR1ESR2LMNAMEN1
SCHEMBL4206793 1.00 CYP19A1 (1.00) CYP19A1ESR1ESR2LMNAMEN1
SCHEMBL225052 0.91 ESR1 (1.00) CYP19A1ESR1ESR2LMNAMEN1
SCHEMBL6010005 0.91 ESR1 (1.00) CYP19A1ESR1ESR2LMNAMEN1
SCHEMBL29565170 0.91 ESR1 (1.00) CYP19A1ESR1ESR2LMNAMEN1
SCHEMBL15491309 0.91 ESR1 (1.00) CYP19A1ESR1ESR2LMNAMEN1
SCHEMBL225053 0.91 ESR1 (1.00) CYP19A1ESR1ESR2LMNAMEN1
SCHEMBL13123058 0.91 ESR1 (1.00) CYP19A1ESR1ESR2LMNAMEN1
SCHEMBL12027476 0.91 ESR1 (1.00) CYP19A1ESR1ESR2LMNAMEN1
SCHEMBL2617357 0.88 CYP19A1 (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 70 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117783544-A Assay buffers and kits for testosterone detection 珠海丽珠试剂股份有限公司 2024-03-29 CN claimed
WO-2008147640-A2 HORMONE REPLACEMENT THERAPY UNIVERSITY OF KANSAS MEDICAL CENTER (US) 2008-12-04 WO claimed
US-20080293683-A1 Hormone Replacement Therapy UNIVERSITY OF KANSAS MEDICAL CENTER (US) 2008-11-27 US claimed
US-7087592-B1 Compositions comprising purified 2-methoxyestradiol and methods of producing same ENTRE MED, INC. (US) 2006-08-08 US claimed
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-20040097479-A1 Methods of obtaining 2-methoxyestradiol of high purity AGOSTON GREGORY E (US) 2004-05-20 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-1206480-A2 METHODS OF OBTAINING 2-METHOXYESTRADIOL OF HIGH PURITY EntreMed, Inc. (US) 2002-05-22 EP claimed
WO-2001014405-A2 METHODS OF OBTAINING 2-METHOXYESTRADIOL OF HIGH PURITY ENTREMED, INC. (US) 2001-03-01 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20080293683-A1 Hormone Replacement Therapy ESR2, SHBG, ESRRG CYP19A1 13/4885ESR1 4/4885ESR2 1/4885
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.