SCHEMBL5188487

SCHEMBL5188487

C=C1C[C@]2(C)C(=O)CC[C@H]2[C@@H]2[C@H](C)Cc3cc(OC)ccc3[C@@H]12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
HSD17B1 P14061 1/20 0.49
RECQL P46063 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KDM4E B2RXH2 2/20 0.40
CYP19A1 P11511 4/20 0.39
STS P08842 5/20 0.38
ABCC4 O15439 1/20 0.38
CYP2C9 P11712 1/20 0.38
ABCC1 P33527 1/20 0.38
SLCO1B1 Q9Y6L6 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ESR1 P03372 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA9 Q16790 1/20 0.38
ESR2 Q92731 1/20 0.38
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL12364241 0.81 HSD17B1 (0.67) LMNAMAPTHSD17B1RECQLSMN1; SMN2
SCHEMBL5024255 0.81 HSD17B1 (0.67) LMNAMAPTHSD17B1RECQLSMN1; SMN2
SCHEMBL2244884 0.81 HSD17B1 (0.67) LMNAMAPTHSD17B1RECQLSMN1; SMN2
SCHEMBL14421698 0.81 HSD17B1 (0.67) LMNAMAPTHSD17B1RECQLSMN1; SMN2
SCHEMBL6535977 0.81 HSD17B1 (0.67) LMNAMAPTHSD17B1RECQLSMN1; SMN2
SCHEMBL14558089 0.80 LMNA (0.52) LMNAMAPTHSD17B1RECQLSMN1; SMN2
SCHEMBL5191077 0.80 LMNA (0.52) LMNAMAPTHSD17B1RECQLSMN1; SMN2
SCHEMBL5189524 0.78 LMNA (0.47) LMNAMAPTRECQLSMN1; SMN2KDM4E
SCHEMBL6466520 0.75 LMNA (0.51) LMNAMAPTHSD17B1RECQLSMN1; SMN2
SCHEMBL5024866 0.73 HSD17B1 (0.62) LMNAMAPTHSD17B1RECQLSMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1042352-B1 ANDROGENIC STEROID COMPOUNDS AND A METHOD OF MAKING AND USING THE SAME RES TRIANGLE INST (US) 2007-07-25 EP disclosed
US-6864248-B2 Androgenic steroid compounds and a method of making and using the same RESEARCH TRIANGLE INSTITUTE (US) 2005-03-08 US disclosed
US-20040097477-A1 Androgenic steroid compounds and a method of making and using the same RESEARCH TRIANGLE INSTITUTE (US) 2004-05-20 US disclosed
US-6670352-B2 E.g. 7alpha,11beta-dimethyl-17beta-hydroxyestr-4-en-3-one; controlling male fertility; stereospecific synthesis starting from adrenosterone, and introducing the 7alpha substituent prior to an 11-substituent RESEARCH TRIANGLE INSTITUTE 2003-12-30 US disclosed
US-20020103177-A1 Androgenic steroid compounds and a method of making and using the same COOK C EDGAR (US) 2002-08-01 US disclosed
US-6369047-B2 ESTR-4-EN-3-ONE DERIVATIVES WITH ENHANCED ACTIVITY RELATIVE TO TESTOSTERONE DUE TO ENHANCED POTENCY; REDUCTION IN SIZE OF SKIN PATCHES RESEARCH TRIANGLE INSTITUTE 2002-04-09 US disclosed
US-20020002156-A1 ANDROGENIC STEROID COMPOUNDS AND A METHOD OF MAKING AND USING THE SAME COOK C EDGAR (US) 2002-01-03 US disclosed
US-5952319-A CONTROLLING MALE FERTILITY IN MAMMAL RESEARCH TRIANGLE INSTITUTE (US) 1999-09-14 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 (3 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-20020002156-A1 ANDROGENIC STEROID COMPOUNDS AND A METHOD OF MAKING AND USING THE SAME NR5A1, CYP17A1, SHBG LMNA 1964/4885MAPT 4047/4885HSD17B1 17/4885
US-20040097477-A1 Androgenic steroid compounds and a method of making and using the same NR5A1, CYP17A1, SHBG LMNA 1964/4885MAPT 4047/4885HSD17B1 17/4885
US-20020103177-A1 Androgenic steroid compounds and a method of making and using the same NR5A1, CYP17A1, SHBG LMNA 1964/4885MAPT 4047/4885HSD17B1 17/4885

“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.