SCHEMBL1027643

SCHEMBL1027643

COOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 4/20 0.83
LMNA P02545 2/20 0.83
MAPT P10636 2/20 0.83
RECQL P46063 1/20 0.83
SMN1; SMN2 Q16637 1/20 0.83
STS P08842 10/20 0.74
CA2 P00918 4/20 0.73
ESR1 P03372 3/20 0.73
CA1 P00915 3/20 0.73
CA9 Q16790 3/20 0.73
ESR2 Q92731 2/20 0.73
KDM4E B2RXH2 2/20 0.73
ABCC4 O15439 1/20 0.73
CYP2C9 P11712 1/20 0.73
ABCC1 P33527 1/20 0.73
SLCO1B1 Q9Y6L6 1/20 0.73
CA4 P22748 1/20 0.73
CA6 P23280 1/20 0.73
CYP3A4 P08684 3/20 0.69
CYP19A1 P11511 2/20 0.69

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
SCHEMBL5017878 0.91 HSD17B1 (1.00) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL5682139 0.91 HSD17B1 (1.00) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL12441050 0.91 HSD17B1 (1.00) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL959954 0.91 HSD17B1 (1.00) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL4570835 0.91 HSD17B1 (1.00) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL5677806 0.91 HSD17B1 (1.00) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL18658723 0.91 HSD17B1 (1.00) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL10079402 0.91 HSD17B1 (1.00) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL15308964 0.91 HSD17B1 (1.00) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL6684274 0.90 HSD17B1 (0.84) HSD17B1LMNAMAPTRECQLSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-2274316-B1 LIGANDS OF ESTROGEN RECEPTORS AND , METHOD OF THEIR PREPARATION AND PHARMACEUTICALS COMPRISING THEM USTAV MOLEKULARNI GENETIKY AV CR V V I (CZ) 2013-02-13 EP disclosed
US-8334280-B2 Ligands of estrogen receptors α and β, method of their preparation, and pharmaceuticals comprising them Ustav Molekularni Genetikv AV CR, V.V.I. (CZ) 2012-12-18 US disclosed
EP-1067913-B1 COMPOSITIONS AND METHODS OF ADJUSTING STEROID HORMONE METABOLISM THROUGH FACILITATED ABSORPTION OF HYDROPHOBIC DIETARY COMPOUNDS BIORESPONSE LLC (US) 2012-08-29 EP disclosed
US-20110118225-A1 Ligands of Estrogen Receptors alpha and beta, Method of Their Preparation, and Pharmaceuticals Comprising Them UNIVERZITA KARLOVA V PRAZE, PRIRODOVEDECKA FAKULTA UK (CZ) 2011-05-19 US disclosed
EP-2274316-A1 LIGANDS OF ESTROGEN RECEPTORS AND , METHOD OF THEIR PREPARATION AND PHARMACEUTICALS COMPRISING THEM Ustav Molekularni Genetiky Av Cr, V.v.i. (CZ) 2011-01-19 EP disclosed
WO-2009135449-A1 LIGANDS OF ESTROGEN RECEPTORS α AND β, METHOD OF THEIR PREPARATION AND PHARMACEUTICALS COMPRISING THEM USTAV MOLEKULARNI GENETIKY AV CR, V.V.I. (CZ) 2009-11-12 WO disclosed
EP-1067913-A4 COMPOSITIONS AND METHODS OF ADJUSTING STEROID HORMONE METABOLISM THROUGH FACILITATED ABSORPTION OF HYDROPHOBIC DIETARY COMPOUNDS BIORESPONSE LLC (US) 2009-03-11 EP disclosed
WO-2008011005-A2 ANTIANGIOGENIC AGENTS ENTREMED, INC. (US) 2008-01-24 WO disclosed
CN-1315869-C Osteoporosis resistant estrogen-RGD peptide conjugate and its application in medicine UNIV CAPITAL MEDICAL SCIENCES (CN) 2007-05-16 CN disclosed
CN-1789278-A Osteoporosis resistant estrogen-RGD peptide conjugate and its application in medicine UNIV CAPITAL MEDICAL SCIENCES (CN) 2006-06-21 CN disclosed
WO-2003073985-A2 NEW METHODS OF USING ANTIANGIOGENIC AGENTS ENTREMED, INC. (US) 2003-09-12 WO disclosed
EP-1067913-A1 COMPOSITIONS AND METHODS OF ADJUSTING STEROID HORMONE METABOLISM THROUGH FACILITATED ABSORPTION OF HYDROPHOBIC DIETARY COMPOUNDS Bioresponse, L.L.C. (US) 2001-01-17 EP disclosed
US-6086915-A HEATING THE SOLUBILIZING EMULSIFIER, ADDING SOLVENT AND ONE OR MORE PHOSPHOLIPID SURFACTANTS, DISSOLVING IN THIS SOLUTION ONE OR MORE HYDROPHOBIC PHYTOCHEMICALS, ADDING ENCAPSULATORS, FORMING MICROEMULSION, SPRAY DRYING THE SOLUTION BIORESPONSE L.L.C. (US) 2000-07-11 US disclosed
WO-1999049851-A1 COMPOSITIONS AND METHODS OF ADJUSTING STEROID HORMONE METABOLISM THROUGH FACILITATED ABSORPTION OF HYDROPHOBIC DIETARY COMPOUNDS BIORESPONSE, L.L.C. (US) 1999-10-07 WO disclosed
EP-0409176-A2 Method and materials for detecting pathology from alterations in estrogen metabolism THE ROCKEFELLER UNIVERSITY (US) 1991-01-23 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 (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-20110118225-A1 Ligands of Estrogen Receptors alpha and beta, Method of Their Preparation, and Pharmaceuticals Comprising Them ESR2, GPER1, ESRRB HSD17B1 58/4885LMNA 3966/4885MAPT 3802/4885

“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.