SCHEMBL4570835

SCHEMBL4570835

COc1ccc2c(c1)CCC1C2CC[C@]2(C)C(=O)CCC12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 4/20 1.00
LMNA P02545 3/20 1.00
MAPT P10636 2/20 1.00
RECQL P46063 1/20 1.00
SMN1; SMN2 Q16637 1/20 1.00
STS P08842 7/20 0.78
ESR1 P03372 3/20 0.76
ESR2 Q92731 2/20 0.76
KDM4E B2RXH2 2/20 0.76
CA1 P00915 2/20 0.76
CA2 P00918 2/20 0.76
CA9 Q16790 2/20 0.76
ABCC4 O15439 1/20 0.76
CYP2C9 P11712 1/20 0.76
ABCC1 P33527 1/20 0.76
SLCO1B1 Q9Y6L6 1/20 0.76
CA4 P22748 1/20 0.76
CA6 P23280 1/20 0.76
CYP3A4 P08684 3/20 0.72
CYP19A1 P11511 2/20 0.72

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
SCHEMBL15308964 1.00 HSD17B1 (1.00) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL12441050 1.00 HSD17B1 (1.00) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL5017878 1.00 HSD17B1 (1.00) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL5682139 1.00 HSD17B1 (1.00) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL959954 1.00 HSD17B1 (1.00) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL10079402 1.00 HSD17B1 (1.00) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL5677806 1.00 HSD17B1 (1.00) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL18658723 1.00 HSD17B1 (1.00) HSD17B1LMNAMAPTRECQLSMN1; SMN2
Ethylene SCHEMBL11570544 0.98 HSD17B1 (0.95) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL3872024 0.93 HSD17B1 (0.87) 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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2625190-B1 DERIVATIVES OF STEROID BENZYLAMINES, HAVING AN ANTIPARASITIC, ANTIBACTERIAL, ANTIMYCOTIC AND/OR ANTIVIRAL ACTION UNIV JUSTUS LIEBIG GIESSEN (DE) 2021-07-14 EP disclosed
EP-2734536-B1 PROCESS FOR THE PREPARATION OF ESTETROL DONESTA BIOSCIENCE B V (NL) 2016-09-28 EP disclosed
US-9382288-B2 Derivatives of steroid benzylamines, having an antiparasitic antibacterial, antimycotic and/or antiviral action JUSTUS-LIEBIG-UNIVERSITAT GIESSEN (DE) 2016-07-05 US disclosed
US-9090651-B2 Helix 12 directed pharmaceutical products ENDORECHERCHE, INC. (CA) 2015-07-28 US disclosed
US-9090651-B2 Helix 12 directed pharmaceutical products ENDORECHERCHE, INC. (CA) 2015-07-28 US disclosed
EP-2348030-B1 17-Alpha-substituted-11-beta-substituted-4-aryl and 21-substituted 19-norpregnadienedione as antiprogestational agents US GOV HEALTH & HUMAN SERV (US) 2015-05-06 EP disclosed
US-8987484-B2 Process for the production of estetrol ESTETRA S.P.R.L. (BE) 2015-03-24 US disclosed
US-20140243539-A1 Process for the Production of Estetrol ESTETRA S.P.R.L. (BE) 2014-08-28 US disclosed
US-20140235882-A1 PROCESS FOR THE PREPARATION OF ESTETROL Pantarhei Biocience B.V. 2014-08-21 US disclosed
US-20140107089-A1 STRUCTURAL MODIFICATION OF 19-NORPROGESTERONE I: 17-ALPHA-SUBSTITUTED-11-BETA-SUBSTITUTED-4-ARYL AND 21-SUBSTITUTED 19-NORPREGNADIENEDIONE AS NEW ANTIPROGESTATIONAL AGENTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERV (US) 2014-04-17 US disclosed
US-20080166301-A1 Steroidal antiestrogens and antiandrogens and uses thereof NORTHEASTERN UNIVERSITY 2008-07-10 US disclosed
US-20080166301-A1 Steroidal antiestrogens and antiandrogens and uses thereof NORTHEASTERN UNIVERSITY 2008-07-10 US disclosed
US-20070021624-A1 Steroid sulphatase inhibitors REED MICHAEL J 2007-01-25 US disclosed
US-5373095-A Steroid compounds THE UPJOHN COMPANY (US) 1994-12-13 US disclosed
US-5334712-A Estrane or androstane pyridinyl alkyl or alkylphenyl amine steroids for antidiabetes and obesity THE UPJOHN COMPANY (US) 1994-08-02 US disclosed
US-5274089-A A estra-1,3,5(10)-triene derivative THE UPJOHN COMPANY (US) 1993-12-28 US disclosed
US-5196542-A Phospholipase A2 inhibitors THE UPJOHN COMPANY (US) 1993-03-23 US disclosed
US-5187299-A Phospholipase inhibitors; treating diabetes, obesity THE UPJOHN COMPANY (US) 1993-02-16 US disclosed
US-5145874-A Phospholipase inhibitor, hypoglycemic agent, antidiabetic, obesity THE UPJOHN COMPANY (US) 1992-09-08 US disclosed
US-4917826-A TREATING DIABETES AND OBESITY THE UPJOHN COMPANY (US) 1990-04-17 US 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 (5 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-20070021624-A1 Steroid sulphatase inhibitors STS, CYP21A2, SULT1E1 HSD17B1 6/4885LMNA 4525/4885MAPT 4645/4885
US-20140107089-A1 STRUCTURAL MODIFICATION OF 19-NORPROGESTERONE I: 17-ALPHA-SUBSTITUTED-11-BETA-SUBSTITUTED-4-ARYL AND 21-SUBSTITUTED 19-NORPREGNADIENEDIONE AS NEW ANTIPROGESTATIONAL AGENTS CYP19A1, HSD17B11, CYP17A1 HSD17B1 15/4885LMNA 275/4885MAPT 4369/4885
US-20140243539-A1 Process for the Production of Estetrol VKORC1L1, CYP46A1, DHCR7 HSD17B1 15/4885LMNA 1969/4885MAPT 965/4885
US-20140235882-A1 PROCESS FOR THE PREPARATION OF ESTETROL CYP19A1, HSD17B11, SULT1A1 HSD17B1 14/4885LMNA 1578/4885MAPT 2973/4885
US-20080166301-A1 Steroidal antiestrogens and antiandrogens and uses thereof NR5A1, SHBG, AR HSD17B1 27/4885LMNA 3879/4885MAPT 4763/4885

“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.