SCHEMBL3872024

SCHEMBL3872024

COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CCC[C@@H]12

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 6/20 0.87
LMNA P02545 3/20 0.87
MAPT P10636 2/20 0.87
RECQL P46063 1/20 0.87
SMN1; SMN2 Q16637 1/20 0.87
STS P08842 6/20 0.68
ESR1 P03372 4/20 0.67
KDM4E B2RXH2 2/20 0.67
ESR2 Q92731 2/20 0.67
ABCC4 O15439 1/20 0.67
CYP2C9 P11712 1/20 0.67
ABCC1 P33527 1/20 0.67
SLCO1B1 Q9Y6L6 1/20 0.67
CA1 P00915 1/20 0.67
CA2 P00918 1/20 0.67
CA4 P22748 1/20 0.67
CA6 P23280 1/20 0.67
CA9 Q16790 1/20 0.67
ALDH1A1 P00352 1/20 0.63
CYP3A4 P08684 3/20 0.63

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
SCHEMBL13937132 1.00 HSD17B1 (0.87) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL15308964 0.93 HSD17B1 (1.00) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL5677806 0.93 HSD17B1 (1.00) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL5017878 0.93 HSD17B1 (1.00) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL10079402 0.93 HSD17B1 (1.00) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL4570835 0.93 HSD17B1 (1.00) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL18658723 0.93 HSD17B1 (1.00) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL959954 0.93 HSD17B1 (1.00) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL12441050 0.93 HSD17B1 (1.00) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL5682139 0.93 HSD17B1 (1.00) 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-7473709-B2 11β-benzaldoxime derivatives of D-homooestra-4,9-dien-3-ones BAYER SCHERING PHARMA AG (DE) 2009-01-06 US disclosed
US-20070149621-A1 11Beta-benzaldoxime derivatives of D-homooestra-4,9-dien-3-ones BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-06-28 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-20070149621-A1 11Beta-benzaldoxime derivatives of D-homooestra-4,9-dien-3-ones HSD17B13, HSD17B7, HSD17B11 HSD17B1 5/4885LMNA 3758/4885MAPT 4631/4885

“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.