SCHEMBL4665285

SCHEMBL4665285

COc1ccc2c(c1OC)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.66
ESR2 Q92731 7/20 0.66
LMNA P02545 5/20 0.66
MEN1 O00255 3/20 0.66
MAPT P10636 3/20 0.66
KMT2A Q03164 3/20 0.66
GAA P10253 2/20 0.66
KDM4E B2RXH2 1/20 0.66
G6PD P11413 1/20 0.66
PKM P14618 1/20 0.66
MAPK1 P28482 1/20 0.66
MPI P34949 1/20 0.66
CYP19A1 P11511 3/20 0.62
HSD17B10 Q99714 6/20 0.61
CYP1A2 P05177 3/20 0.60
CYP3A4 P08684 3/20 0.60
CYP1B1 Q16678 3/20 0.60
TSHR P16473 3/20 0.60
CYP1A1 P04798 2/20 0.60
CYP2C19 P33261 2/20 0.60

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
SCHEMBL13123060 0.89 ESR1 (0.77) ESR1ESR2LMNAMEN1MAPT
SCHEMBL2596534 0.89 ESR1 (0.77) ESR1ESR2LMNAMEN1MAPT
SCHEMBL1048371 0.89 ESR1 (0.77) ESR1ESR2LMNAMEN1MAPT
SCHEMBL31544736 0.89 ESR1 (0.77) ESR1ESR2LMNAMEN1MAPT
SCHEMBL14506283 0.88 ESR1 (0.65) ESR1ESR2LMNAMEN1MAPT
SCHEMBL29635930 0.86 HSD17B10 (0.66) ESR1ESR2LMNAMEN1MAPT
SCHEMBL5530502 0.84 HSD17B10 (0.67) ESR1ESR2LMNAMEN1MAPT
SCHEMBL5530501 0.84 HSD17B10 (0.67) ESR1ESR2LMNAMEN1MAPT
SCHEMBL6883109 0.80 ESR1 (0.73) ESR1ESR2LMNAMEN1MAPT
SCHEMBL6883111 0.80 ESR1 (0.73) ESR1ESR2LMNAMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1640009-B1 Estrogenic compounds as antimitotic agents CHILDRENS MEDICAL CENTER (US) 2008-10-15 EP disclosed
EP-1927359-A2 2-Methoxyestradiol for the treatment of inflammatory disorders CHILDREN'S MEDICAL CENTER CORPORATION (US) 2008-06-04 EP disclosed
US-7381848-B2 Estrogenic compounds as anti-mitotic agents THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2008-06-03 US disclosed
US-7291610-B2 Estrogenic compounds as anti-mitotic agents THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2007-11-06 US disclosed
US-7109187-B2 Estrogenic compounds as anti-mitotic agents THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2006-09-19 US disclosed
US-20060183727-A1 Estrogenic compounds as anti-mitotic agents THE CHILDREN'S MEDICAL CENTER CORPORATION 2006-08-17 US disclosed
US-7081477-B2 Estrogenic compounds as anti-mitotic agents THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2006-07-25 US disclosed
US-20060079576-A1 Estrogenic compounds as anti-mitotic agents D AMATO ROBERT J 2006-04-13 US disclosed
EP-1640009-A1 Estrogenic compounds as antimitotic agents CHILDREN'S MEDICAL CENTER CORPORATION (US) 2006-03-29 EP disclosed
US-7012070-B2 Estrogenic compounds as anti-mitotic agents THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2006-03-14 US disclosed
EP-0713393-B1 ESTROGENIC COMPOUNDS AS ANTI-ANGIOGENESIS AGENTS CHILDRENS MEDICAL CENTER (US) 2005-12-21 EP disclosed
US-6930128-B2 Estrogenic compounds as anti-mitotic agents THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2005-08-16 US disclosed
US-6908910-B2 Estrogenic compounds as anti-mitotic agents THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2005-06-21 US disclosed
US-20050020555-A1 Estrogenic compounds as anti-mitotic agents D AMATO ROBERT JOHN (US) 2005-01-27 US disclosed
US-6723858-B2 BREAKING CELL DIVIDING, REPRODUCTION CYCLES THE CHILDREN'S MEDICAL CENTER CORPORATION 2004-04-20 US disclosed
US-6528676-B1 Estradiol derivatives including those comprising colchicine or combretastatin A-4 structural motifs; angiogenesis inhibitors THE CHILDREN'S MEDICAL CENTER CORPORATION 2003-03-04 US disclosed
EP-0713393-A4 ESTROGENIC COMPOUNDS AS ANTI-MITOTIC AGENTS CHILDRENS MEDICAL CENTER (US) 2000-10-25 EP disclosed
EP-0713393-A1 ESTROGENIC COMPOUNDS AS ANTI-MITOTIC AGENTS The Children's Medical Center Corporation (US) 1996-05-29 EP disclosed
WO-1995004535-A1 ESTROGENIC COMPOUNDS AS ANTI-MITOTIC AGENTS THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 1995-02-16 WO 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 (1 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-20050020555-A1 Estrogenic compounds as anti-mitotic agents NUMA1, CCNB1, CCNB3 ESR1 47/4885ESR2 50/4885LMNA 595/4885

“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.