SCHEMBL7124873

SCHEMBL7124873

COc1ccc2c(c1)CCC1C2CC[C@]2(C)C(=O)[C@H](CC(=O)O)CC12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 8/20 0.64
LMNA P02545 4/20 0.62
MAPT P10636 1/20 0.62
RECQL P46063 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
ESR1 P03372 3/20 0.59
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 1/20 0.58
HSD17B10 Q99714 1/20 0.56
CYP3A4 P08684 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 1/20 0.52
HIF1A Q16665 1/20 0.52
NR3C1 P04150 1/20 0.52
PGR P06401 1/20 0.52
CNR1 P21554 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A4 P31645 1/20 0.52
SLC6A3 Q01959 1/20 0.52
STS P08842 2/20 0.52

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 1.00 HSD17B1 (0.64) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL12418539 0.89 HSD17B1 (0.63) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL11315779 0.88 HSD17B1 (0.67) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL11239229 0.88 HSD17B1 (0.67) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL12379508 0.88 HSD17B1 (0.80) HSD17B1LMNAMAPTSMN1; SMN2ESR1
SCHEMBL7079631 0.88 HSD17B1 (0.54) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL12379505 0.87 USP2 (0.64) HSD17B1MAPTKDM4EALDH1A1CYP3A4
SCHEMBL11236609 0.86 HSD17B1 (0.64) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL7079771 0.85 HSD17B1 (0.65) HSD17B1LMNAMAPTESR1KDM4E
SCHEMBL11865928 0.84 ESR1 (0.74) 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 2 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
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

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.