SCHEMBL2289901

SCHEMBL2289901

CCOCC1C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 9/20 1.00
ESR1 P03372 7/20 0.59
ESR2 Q92731 5/20 0.59
STS P08842 2/20 0.59
LMNA P02545 2/20 0.59
SHBG P04278 2/20 0.59
PGR P06401 2/20 0.59
SERPINA6 P08185 2/20 0.59
AR P10275 2/20 0.59
SLC6A4 P31645 2/20 0.59
SNCA P37840 2/20 0.59
SLC6A3 Q01959 2/20 0.59
HIF1A Q16665 2/20 0.59
CYP3A4 P08684 2/20 0.59
MAPT P10636 2/20 0.59
AKR1B10 O60218 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP19A1 P11511 1/20 0.59
AKR1B1 P15121 1/20 0.59
NFKB1 P19838 1/20 0.59

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
SCHEMBL12379642 1.00 HSD17B1 (1.00) HSD17B1ESR1ESR2STSLMNA
SCHEMBL1977506 1.00 HSD17B1 (1.00) HSD17B1ESR1ESR2STSLMNA
SCHEMBL15307738 0.89 HSD17B1 (0.79) HSD17B1ESR1ESR2STSLMNA
SCHEMBL12379501 0.85 HSD17B1 (1.00) HSD17B1ESR1ESR2STSLMNA
SCHEMBL12379508 0.84 HSD17B1 (0.80) HSD17B1ESR1ESR2STSLMNA
SCHEMBL12593969 0.84 HSD17B1 (0.80) HSD17B1ESR1ESR2STSLMNA
SCHEMBL12379552 0.83 HSD17B1 (0.77) HSD17B1ESR1ESR2STSLMNA
SCHEMBL12418958 0.83 HSD17B1 (0.82) HSD17B1ESR1ESR2STSLMNA
SCHEMBL12379549 0.83 HSD17B1 (0.75) HSD17B1ESR1ESR2STSLMNA
SCHEMBL12379697 0.82 HSD17B1 (0.69) HSD17B1ESR1ESR2STSLMNA

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-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
US-20060074060-A1 Compound STERIX LIMITED (GB) 2006-04-06 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-20060074060-A1 Compound HAT1, CBR3, ADH5 HSD17B1 687/4885ESR1 2958/4885ESR2 1596/4885

“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.