SCHEMBL6012029

SCHEMBL6012029

CCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC(C)(C)[C@@H]4[C@H]3CC[C@]12C

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.75
▸ MAPT P10636 5/20 0.75
▸ AR P10275 3/20 0.51
▸ CYP3A4 P08684 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ PGR P06401 2/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ ESR1 P03372 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ ADORA3 P0DMS8 1/20 0.49
▸ CHRM1 P11229 1/20 0.49
▸ TBXA2R P21731 1/20 0.49
▸ PTGS1 P23219 1/20 0.49
▸ ATM Q13315 1/20 0.49
▸ PDE3A Q14432 1/20 0.49
▸ USP2 O75604 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ NR1I2 O75469 2/20 0.47

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
SCHEMBL5189196 1.00 LMNA (0.75) LMNAMAPTARCYP3A4KMT2A
SCHEMBL5155074 0.86 LMNA (0.55) LMNAMAPTARCYP3A4KMT2A
SCHEMBL3850364 0.85 MAPT (1.00) LMNAMAPTARCYP3A4KMT2A
Nandrolone Decanoate SCHEMBL19834508 0.85 MAPT (1.00) LMNAMAPTARCYP3A4KMT2A
SCHEMBL635908 0.85 MAPT (1.00) LMNAMAPTARCYP3A4KMT2A
Nandrolone Decanoate SCHEMBL16107220 0.85 MAPT (1.00) LMNAMAPTARCYP3A4KMT2A
SCHEMBL11593159 0.85 MAPT (1.00) LMNAMAPTARCYP3A4KMT2A
SCHEMBL11351978 0.85 MAPT (1.00) LMNAMAPTARCYP3A4KMT2A
SCHEMBL14568852 0.85 MAPT (1.00) LMNAMAPTARCYP3A4KMT2A
Nandrolone Decanoate SCHEMBL10710160 0.85 MAPT (1.00) LMNAMAPTARCYP3A4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1272196-B1 METHODS OF MAKING THE 4-N-BUTYLCYCLOHEXANOIC AND THE UNDECANOIC ACID ESTERS OF (7 ALPHA,11 BETA)-DIMETHYL-17 BETA-HYDROXY-4-ESTREN-3-ONE AND THEIR MEDICAL USE US GOV HEALTH & HUMAN SERV (US) 2006-08-02 — — EP claimed
EP-1272196-A2 METHODS OF MAKING THE 4-N-BUTYLCYCLOHEXANOIC AND THE UNDECANOIC ACID ESTERS OF (7 ALPHA,11 BETA)-DIMETHYL-17 BETA-HYDROXY-4-ESTREN-3-ONE AND THEIR MEDICAL USE THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2003-01-08 — — EP claimed
WO-2001074839-A2 METHODS OF MAKING THE 4-N-BUTYLCYCLOHEXANOIC AND THE UNDECANOIC ACID ESTERS OF (7 ALPHA, 11 BETA)-DIMETHYL-17 BETA-HYDROXY-4-ESTREN-3-ONE AND THEIR MEDICAL USE THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2001-10-11 — — WO claimed
US-10351587-B2 Method of making and using 7α, 11β-dimethyl-17β-hydroxyestr-4-en-3-one 17-undecanoate THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2019-07-16 — — US disclosed
EP-1272196-B1 METHODS OF MAKING THE 4-N-BUTYLCYCLOHEXANOIC AND THE UNDECANOIC ACID ESTERS OF (7 ALPHA,11 BETA)-DIMETHYL-17 BETA-HYDROXY-4-ESTREN-3-ONE AND THEIR MEDICAL USE US GOV HEALTH & HUMAN SERV (US) 2006-08-02 — — EP disclosed
EP-1379253-B1 METHODS OF MAKING AND PHARMACEUTICAL FORMULATIONS COMPRISING 7ALPHA,11BETA-DIMETHYL-17BETA-HYDROXYESTRA-4, 14-DIEN-3-ONE AND 17 ESTERS THEREOF US GOV HEALTH & HUMAN SERV (US) 2006-03-29 — — EP disclosed
EP-1379253-A1 METHODS OF MAKING AND PHARMACEUTICAL FORMULATIONS COMPRISING 7ALPHA,11BETA-DIMETHYL-17BETA-HYDROXYESTRA-4, 14-DIEN-3-ONE AND 17 ESTERS THEREOF THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2004-01-14 — — EP disclosed
WO-2003045398-A1 METHODS OF MAKING AND PHARMACEUTICAL FORMULATIONS COMPRISING 7ALPHA, 11BETA-DIMETHY-17BETA-HYDROXYESTRA-4, 14-DIEN-3-ONE AND 17 ESTERS THEREOF THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2003-06-05 — — WO disclosed
EP-1272196-A2 METHODS OF MAKING THE 4-N-BUTYLCYCLOHEXANOIC AND THE UNDECANOIC ACID ESTERS OF (7 ALPHA,11 BETA)-DIMETHYL-17 BETA-HYDROXY-4-ESTREN-3-ONE AND THEIR MEDICAL USE THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2003-01-08 — — EP disclosed
WO-2001074839-A2 METHODS OF MAKING THE 4-N-BUTYLCYCLOHEXANOIC AND THE UNDECANOIC ACID ESTERS OF (7 ALPHA, 11 BETA)-DIMETHYL-17 BETA-HYDROXY-4-ESTREN-3-ONE AND THEIR MEDICAL USE THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2001-10-11 — — 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-10351587-B2 Method of making and using 7α, 11β-dimethyl-17β-hydroxyestr-4-en-3-one 17-undecanoate HSD17B11, HSD17B13, CYP19A1 LMNA 933/4885MAPT 3820/4885AR 274/4885

“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.

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