SCHEMBL5024803

SCHEMBL5024803

COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)C=C[C@H]12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.67
HSD17B1 P14061 2/20 0.67
MAPT P10636 2/20 0.67
RECQL P46063 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
HSD17B10 Q99714 1/20 0.56
ESR1 P03372 4/20 0.54
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C19 P33261 1/20 0.53
HIF1A Q16665 1/20 0.53
NR3C1 P04150 1/20 0.53
PGR P06401 1/20 0.53
CNR1 P21554 1/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A4 P31645 1/20 0.53
SLC6A3 Q01959 1/20 0.53
STS P08842 5/20 0.52
KDM4E B2RXH2 2/20 0.51
ABCC4 O15439 1/20 0.51

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
SCHEMBL2738485 1.00 LMNA (0.67) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL12164090 1.00 LMNA (0.67) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL10269569 0.90 LMNA (0.54) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL15984263 0.90 LMNA (0.54) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL16464726 0.87 ESR1 (0.62) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL14652477 0.87 ESR1 (0.62) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL10356189 0.84 LMNA (0.56) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL24946437 0.84 ESR1 (0.65) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL3370638 0.84 ESR1 (0.65) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL12164276 0.84 ESR1 (0.65) LMNAHSD17B1MAPTRECQLSMN1; 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1343806-B1 METHYLENE STEROIDS AS NOVEL ANDROGENS ORGANON NV (NL) 2008-05-28 EP disclosed
US-6949531-B2 14 β, 16, 17-methylene steroids as novel androgens AKZO NOBEL N.V. (NL) 2005-09-27 US disclosed
US-6881728-B1 14-β, 17-α-hydroxymethylandrostane derivatives as androgens AKZO NOBEL N.V. (NL) 2005-04-19 US disclosed
US-20040030165-A1 14 Beta, 16, 17-methylene steroids as novel androgens MERCK SHARP & DOHME B.V. (NL) 2004-02-12 US disclosed
EP-1343806-A1 METHYLENE STEROIDS AS NOVEL ANDROGENS Akzo Nobel N.V. (NL) 2003-09-17 EP disclosed
EP-1163259-B1 14.BETA.,17-ALPHA-HYDROXYMETHYLANDROSTANE DERIVATIVES AS ANDROGENS AKZO NOBEL NV (NL) 2002-11-20 EP disclosed
WO-2002048171-A1 METHYLENE STEROIDS AS NOVEL ANDROGENS AKZO NOBEL N.V. (NL) 2002-06-20 WO disclosed
EP-1163259-A1 14.BETA.,17-ALPHA-HYDROXYMETHYLANDROSTANE DERIVATIVES AS ANDROGENS Akzo Nobel N.V. (NL) 2001-12-19 EP disclosed
WO-2000053619-A1 14.BETA., 17-ALPHA-HYDROXYMETHYLANDROSTANE DERIVATIVES AS ANDROGENS AKZO NOBEL N.V. (NL) 2000-09-14 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-20040030165-A1 14 Beta, 16, 17-methylene steroids as novel androgens CYP17A1, HSD17B7, AR LMNA 2656/4885HSD17B1 12/4885MAPT 3623/4885

“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.