SCHEMBL4896510

SCHEMBL4896510

COc1cc2c(cc1O)[C@H]1CC[C@]3(C)[C@@H](O)CC[C@H]3[C@@H]1CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 1.00
CYP1B1 Q16678 2/20 1.00
CYP19A1 P11511 5/20 0.91
HSD17B10 Q99714 4/20 0.91
LMNA P02545 4/20 0.91
CYP1A2 P05177 3/20 0.91
CYP3A4 P08684 2/20 0.91
MEN1 O00255 2/20 0.91
GAA P10253 2/20 0.91
MAPT P10636 2/20 0.91
KMT2A Q03164 2/20 0.91
SHBG P04278 2/20 0.91
TSHR P16473 2/20 0.91
CYP2C19 P33261 2/20 0.91
TP53 P04637 1/20 0.91
NFKB1 P19838 1/20 0.91
THPO P40225 1/20 0.91
GMNN O75496 1/20 0.91
MTOR P42345 1/20 0.91
BLM P54132 1/20 0.91

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
SCHEMBL8489736 1.00 CYP1A1 (1.00) CYP1A1CYP1B1CYP19A1HSD17B10LMNA
2-Methoxyestradiol SCHEMBL119439 0.95 CYP19A1 (1.00) CYP1A1CYP1B1CYP19A1HSD17B10LMNA
2-Methoxyestradiol SCHEMBL8796 0.95 CYP19A1 (1.00) CYP1A1CYP1B1CYP19A1HSD17B10LMNA
2-Methoxyestradiol SCHEMBL26936622 0.95 CYP19A1 (1.00) CYP1A1CYP1B1CYP19A1HSD17B10LMNA
2-Methoxyestradiol SCHEMBL7052497 0.95 CYP19A1 (1.00) CYP1A1CYP1B1CYP19A1HSD17B10LMNA
2-Methoxyestradiol SCHEMBL23261536 0.95 CYP19A1 (1.00) CYP1A1CYP1B1CYP19A1HSD17B10LMNA
2-Methoxyestradiol SCHEMBL14252882 0.95 CYP19A1 (1.00) CYP1A1CYP1B1CYP19A1HSD17B10LMNA
2-Methoxyestradiol SCHEMBL13123068 0.95 CYP19A1 (1.00) CYP1A1CYP1B1CYP19A1HSD17B10LMNA
2-Methoxyestradiol SCHEMBL29357742 0.95 CYP19A1 (1.00) CYP1A1CYP1B1CYP19A1HSD17B10LMNA
2-Methoxyestradiol SCHEMBL2610023 0.95 CYP19A1 (1.00) CYP1A1CYP1B1CYP19A1HSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017189528-A1 CORROSION INHIBITOR COMPOSITIONS AND METHODS OF USING SAME Ecolab USA, Inc. (US) 2017-11-02 WO claimed
US-20170306504-A1 CORROSION INHIBITOR COMPOSITIONS AND METHODS OF USING SAME CHAMPIONX LLC 2017-10-26 US claimed
US-6172056-B1 ADMINISTERING A ESTROGEN COMPOUND JENAPHARM GMBH & CO. KG (DE) 2001-01-09 US claimed
US-20250076302-A1 DETECTING THE PRESENCE OF URINARY STONE DISEASE USING A PLURALITY OF URINARY METABOLITES THE CLEVELAND CLINIC FOUNDATION 2025-03-06 US disclosed
WO-2017189528-A1 CORROSION INHIBITOR COMPOSITIONS AND METHODS OF USING SAME Ecolab USA, Inc. (US) 2017-11-02 WO disclosed
US-20170306504-A1 CORROSION INHIBITOR COMPOSITIONS AND METHODS OF USING SAME CHAMPIONX LLC 2017-10-26 US disclosed
US-20080293683-A1 Hormone Replacement Therapy UNIVERSITY OF KANSAS MEDICAL CENTER (US) 2008-11-27 US disclosed
US-20070275935-A1 Estratriene Derivatives CRYPTOPHARMA PTY LTD (AU) 2007-11-29 US disclosed
EP-1625143-A1 ESTRATRIENE DERIVATIVES Cryptopharma Pty Ltd (AU) 2006-02-15 EP disclosed
WO-2004101595-A1 ESTRATRIENE DERIVATIVES CRYPTOPHARMA PTY LTD (AU) 2004-11-25 WO disclosed
US-6274118-B1 INJECTING PATIENT HAVING ENDOCRINE CANCER IN NON-PROSTATIC TISSUE WITH BIOLOGICAL BINDING UNITS WHICH BIND TO PROSTATE SPECIFIC ANTIGEN PRODUCED BY NON-PROSTATIC TISSUE NORDION INTERNATIONAL INC. (CA) 2001-08-14 US disclosed
US-6172056-B1 ADMINISTERING A ESTROGEN COMPOUND JENAPHARM GMBH & CO. KG (DE) 2001-01-09 US disclosed
US-6172056-B1 ADMINISTERING A ESTROGEN COMPOUND JENAPHARM GMBH & CO. KG (DE) 2001-01-09 US disclosed
WO-1995002424-A1 LOCALIZATION AND THERAPY OF NON-PROSTATIC ENDOCRINE CANCER WITH AGENTS DIRECTED AGAINST PROSTATE SPECIFIC ANTIGEN NORDION INTERNATIONAL INC. (CA) 1995-01-26 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 (2 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-20080293683-A1 Hormone Replacement Therapy ESR2, SHBG, ESRRG CYP1A1 818/4885CYP1B1 1095/4885CYP19A1 13/4885
US-20070275935-A1 Estratriene Derivatives ESR2, ESRRB, NR3C2 CYP1A1 234/4885CYP1B1 210/4885CYP19A1 20/4885

“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.