SCHEMBL2293877

SCHEMBL2293877

C=C1C[C@H]2[C@@H]3CCc4cc(OC(C)=O)ccc4[C@H]3CC[C@]2(C)C1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.64
ESR1 P03372 4/20 0.64
LMNA P02545 3/20 0.64
ADORA3 P0DMS8 2/20 0.64
ATM Q13315 2/20 0.64
PGR P06401 1/20 0.64
AR P10275 1/20 0.64
CHRM1 P11229 1/20 0.64
TBXA2R P21731 1/20 0.64
ADRA1A P35348 1/20 0.64
OPRM1 P35372 1/20 0.64
SLC6A3 Q01959 1/20 0.64
CYP3A4 P08684 3/20 0.62
MAPT P10636 3/20 0.62
TP53 P04637 1/20 0.62
HSD17B1 P14061 1/20 0.53
RECQL P46063 1/20 0.53
STS P08842 6/20 0.52
ABCC4 O15439 1/20 0.52
CYP2C9 P11712 1/20 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
SCHEMBL12379638 1.00 SMN1; SMN2 (0.64) SMN1; SMN2ESR1LMNAADORA3ATM
SCHEMBL6899365 0.85 ESR1 (0.69) SMN1; SMN2ESR1LMNAADORA3ATM
SCHEMBL6899367 0.85 ESR1 (0.69) SMN1; SMN2ESR1LMNAADORA3ATM
SCHEMBL10116930 0.85 STS (0.72) SMN1; SMN2ESR1LMNAADORA3ATM
SCHEMBL12379646 0.85 SMN1; SMN2 (0.60) SMN1; SMN2ESR1LMNAADORA3ATM
SCHEMBL1977503 0.85 SMN1; SMN2 (0.60) SMN1; SMN2ESR1LMNAADORA3ATM
SCHEMBL1978859 0.84 HSD17B1 (0.67) SMN1; SMN2ESR1LMNAPGRAR
SCHEMBL12593505 0.84 HSD17B1 (0.67) SMN1; SMN2ESR1LMNAPGRAR
Estrone Acetate SCHEMBL6241050 0.83 CYP3A4 (0.76) SMN1; SMN2ESR1LMNAADORA3ATM
Estrone Acetate SCHEMBL20006536 0.83 CYP3A4 (0.76) SMN1; SMN2ESR1LMNAADORA3ATM

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 SMN1; SMN2 3055/4885ESR1 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.