SCHEMBL1977976

SCHEMBL1977976

CC(=O)OC=C1C[C@H]2[C@@H]3CC(=O)c4cc(OC(C)=O)ccc4[C@H]3CC[C@]2(C)C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.46
ESR1 P03372 3/20 0.43
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
PGR P06401 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
AR P10275 1/20 0.42
CHRM1 P11229 1/20 0.42
TBXA2R P21731 1/20 0.42
ADRA1A P35348 1/20 0.42
OPRM1 P35372 1/20 0.42
SLC6A3 Q01959 1/20 0.42
ATM Q13315 1/20 0.42
CYP3A4 P08684 2/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
AKR1C3 P42330 1/20 0.36
STS P08842 4/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL12379647 1.00 HSD17B1 (0.46) HSD17B1ESR1LMNAMAPK1SMN1; SMN2
SCHEMBL12379646 0.85 SMN1; SMN2 (0.60) HSD17B1ESR1LMNASMN1; SMN2PGR
SCHEMBL1977503 0.85 SMN1; SMN2 (0.60) HSD17B1ESR1LMNASMN1; SMN2PGR
SCHEMBL12379608 0.81 HSD17B1 (0.71) HSD17B1ESR1LMNASMN1; SMN2PGR
SCHEMBL1981989 0.81 HSD17B1 (0.71) HSD17B1ESR1LMNASMN1; SMN2PGR
SCHEMBL2838564 0.80 HSD17B1 (0.58) HSD17B1ESR1LMNAMAPK1SMN1; SMN2
SCHEMBL7701951 0.80 HSD17B1 (0.58) HSD17B1ESR1LMNAMAPK1SMN1; SMN2
SCHEMBL14094306 0.78 LMNA (0.72) HSD17B1ESR1LMNAMAPK1SMN1; SMN2
SCHEMBL11784135 0.77 ESR1 (0.53) HSD17B1ESR1LMNAMAPK1SMN1; SMN2
SCHEMBL2838358 0.77 HSD17B1 (0.47) HSD17B1ESR1LMNAMAPK1SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003783-B2 Steroid 17 beta -hydroxysteroid dehydrogenase inhibitors substituted with one or more oxime groups, especially aromatase inhibitors used in the treatment of endocrine-dependent tumors, especially breast cancer STERIX LIMITED (GB) 2011-08-23 US disclosed
EP-2336146-A1 17beta-hydroxysteroid dehydrogenase inhibitors Sterix Limited (GB) 2011-06-22 EP disclosed
US-20060074060-A1 Compound STERIX LIMITED (GB) 2006-04-06 US disclosed
EP-1631579-A2 17BETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS Sterix Limited (GB) 2006-03-08 EP disclosed
WO-2004085457-A2 17BETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS STERIX LIMITED (GB) 2004-10-07 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-20060074060-A1 Compound HAT1, CBR3, ADH5 HSD17B1 687/4885ESR1 2958/4885LMNA 1541/4885

“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.