SCHEMBL15625964

SCHEMBL15625964

CCCc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.72
CA2 P00918 3/20 0.72
CA9 Q16790 3/20 0.72
CA5A P35218 2/20 0.72
STS P08842 10/20 0.69
HSD17B1 P14061 6/20 0.69
LMNA P02545 2/20 0.69
MAPT P10636 2/20 0.69
ESR1 P03372 2/20 0.69
ESR2 Q92731 2/20 0.69
AKR1B10 O60218 1/20 0.69
SHBG P04278 1/20 0.69
CYP1A2 P05177 1/20 0.69
PGR P06401 1/20 0.69
SERPINA6 P08185 1/20 0.69
CYP3A4 P08684 1/20 0.69
AR P10275 1/20 0.69
CYP19A1 P11511 1/20 0.69
AKR1B1 P15121 1/20 0.69
NFKB1 P19838 1/20 0.69

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
SCHEMBL7130255 0.91 CA1 (0.74) CA1CA2CA9CA5ASTS
SCHEMBL31321075 0.90 CA1 (0.70) CA1CA2CA9CA5ASTS
SCHEMBL12967023 0.89 CA1 (0.63) CA1CA2CA9CA5ASTS
SCHEMBL10481850 0.87 CA1 (0.73) CA1CA2CA9CA5ASTS
SCHEMBL15307861 0.87 STS (0.74) CA1CA2CA9CA5ASTS
SCHEMBL15307860 0.87 STS (0.74) CA1CA2CA9CA5ASTS
SCHEMBL10080238 0.87 STS (0.74) CA1CA2CA9CA5ASTS
SCHEMBL13216961 0.87 STS (0.74) CA1CA2CA9CA5ASTS
SCHEMBL12715347 0.87 STS (0.67) CA1CA2CA9CA5ASTS
SCHEMBL15434177 0.85 STS (0.61) CA1CA2CA9CA5ASTS

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140088053-A1 INHIBITORS OF 17Beta-HSD1, 17Beta-HSD3 AND 17Beta-HSD10 UNIVERSITé LAVAL (CA) 2014-03-27 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-20140088053-A1 INHIBITORS OF 17Beta-HSD1, 17Beta-HSD3 AND 17Beta-HSD10 HSD17B11, HSD17B1, HSD17B3 CA1 454/4885CA2 1249/4885CA9 1106/4885

“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.