SCHEMBL7076832

SCHEMBL7076832

COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](CC#N)CC[C@@H]12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.67
HSD17B10 Q99714 1/20 0.67
STS P08842 3/20 0.66
CA2 P00918 1/20 0.66
CA9 Q16790 1/20 0.66
ESR1 P03372 4/20 0.61
HSD17B1 P14061 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MAPT P10636 2/20 0.57
RECQL P46063 1/20 0.57
PGR P06401 2/20 0.55
SLC6A3 Q01959 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C19 P33261 1/20 0.55
HIF1A Q16665 1/20 0.55
NR3C1 P04150 1/20 0.55
CNR1 P21554 1/20 0.55
SLC6A2 P23975 1/20 0.55
SLC6A4 P31645 1/20 0.55

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
SCHEMBL29942015 0.92 STS (0.63) LMNAHSD17B10STSCA2CA9
SCHEMBL15308955 0.87 LMNA (0.72) LMNAHSD17B10STSESR1HSD17B1
SCHEMBL7054352 0.87 LMNA (0.72) LMNAHSD17B10STSESR1HSD17B1
SCHEMBL7054356 0.87 LMNA (0.72) LMNAHSD17B10STSESR1HSD17B1
SCHEMBL4995702 0.87 LMNA (0.72) LMNAHSD17B10STSESR1HSD17B1
SCHEMBL6462167 0.86 LMNA (0.74) LMNAHSD17B10STSESR1HSD17B1
SCHEMBL6468136 0.86 LMNA (0.74) LMNAHSD17B10STSESR1HSD17B1
SCHEMBL7021703 0.84 LMNA (0.71) LMNAHSD17B10STSCA2CA9
SCHEMBL7612623 0.84 LMNA (0.70) LMNAHSD17B10STSESR1HSD17B1
SCHEMBL21276873 0.83 LMNA (0.53) LMNAHSD17B10STSCA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1322662-A1 19-NOR-17 ALPHA-PREGNA-1,3,5 (10)-TRIEN-17 BETA-OLS OF A 21,16 ALPHA-LACTONE RING Schering AG (DE) 2003-07-02 EP claimed
US-20020156271-A1 19-nor-17alpha-pregna-1,3,5 (10) -trien-17beta-ols with a 21, 16alpha-lactone ring JENAPHARM GMBH & CO. KG (DE) 2002-10-24 US claimed
WO-2002026763-A1 19-NOR-17α-PREGNA-1,3,5 (10)-TRIEN-17β-OLS OF A 21,16α-LACTONE RING SCHERING AG (DE) 2002-04-04 WO claimed
EP-1322662-A1 19-NOR-17 ALPHA-PREGNA-1,3,5 (10)-TRIEN-17 BETA-OLS OF A 21,16 ALPHA-LACTONE RING Schering AG (DE) 2003-07-02 EP disclosed
WO-2002026763-A1 19-NOR-17α-PREGNA-1,3,5 (10)-TRIEN-17β-OLS OF A 21,16α-LACTONE RING SCHERING AG (DE) 2002-04-04 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-20020156271-A1 19-nor-17alpha-pregna-1,3,5 (10) -trien-17beta-ols with a 21, 16alpha-lactone ring HSD17B11, CYP17A1, CYP19A1 LMNA 2804/4885HSD17B10 66/4885STS 103/4885

“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.