SCHEMBL7079631

SCHEMBL7079631

CC[C@]12CC[C@@H]3c4ccc(OC)cc4CC[C@H]3[C@@H]1C[C@@H](CC(=O)O)C2=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 5/20 0.54
LMNA P02545 4/20 0.54
MAPT P10636 2/20 0.54
RECQL P46063 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HSD17B10 Q99714 1/20 0.51
ESR1 P03372 3/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
PPARD Q03181 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
HIF1A Q16665 1/20 0.48
NR3C1 P04150 1/20 0.48
PGR P06401 1/20 0.48
CNR1 P21554 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48

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
SCHEMBL7124870 0.88 HSD17B1 (0.64) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL7124873 0.88 HSD17B1 (0.64) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL11857394 0.80 LMNA (0.72) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL28068491 0.80 LMNA (0.72) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL11862021 0.80 LMNA (0.72) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL11857389 0.80 LMNA (0.72) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL4623091 0.80 LMNA (0.72) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL12418539 0.79 HSD17B1 (0.63) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL11315779 0.78 HSD17B1 (0.67) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL11239229 0.78 HSD17B1 (0.67) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6670347-B2 Selective estrogens that show preference for one of the two known estogen receptors SCHERING AG (DE) 2003-12-30 US disclosed
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
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 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 HSD17B1 10/4885LMNA 2804/4885MAPT 4254/4885

“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.