SCHEMBL9988372

SCHEMBL9988372

CC(C)(C)OC(=O)C12CC3CC(C1)CC(C(C)(C)O)(C3)C2

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.40
CYP19A1 P11511 2/20 0.40
NPSR1 Q6W5P4 1/20 0.39
THRB P10828 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD11B1 P28845 1/20 0.34
GAA P10253 1/20 0.34
EPHX2 P34913 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL136663 0.87 NPSR1 (0.49) CYP17A1CYP19A1NPSR1THRBMEN1
SCHEMBL9987662 0.86 THRB (0.41) CYP17A1CYP19A1NPSR1THRBGAA
SCHEMBL5568146 0.81 ALDH1A1 (0.44) CYP17A1CYP19A1NPSR1MEN1MAPK1
SCHEMBL2338250 0.81 POLB (0.42) CYP17A1CYP19A1NPSR1THRBMEN1
SCHEMBL133074 0.81 ALDH1A1 (0.49) CYP17A1CYP19A1NPSR1HSD11B1L3MBTL1
SCHEMBL9987665 0.80 ALDH1A1 (0.46) THRBMEN1MAPK1KMT2AGAA
SCHEMBL131064 0.79 CYP17A1 (0.55) CYP17A1CYP19A1NPSR1MEN1MAPK1
SCHEMBL9988376 0.79 CYP17A1 (0.37) CYP17A1CYP19A1NPSR1MEN1MAPK1
SCHEMBL15436194 0.78 CYP17A1 (0.40) CYP17A1CYP19A1NPSR1THRBMEN1
SCHEMBL5410234 0.76 NPSR1 (0.40) CYP17A1CYP19A1NPSR1THRBMEN1

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-8598292-B2 Adamantane derivative, method for producing same, polymer using same as starting material, and resin composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2013-12-03 US disclosed
US-20110319584-A1 ADAMANTANE DERIVATIVE, METHOD FOR PRODUCING SAME, POLYMER USING SAME AS STARTING MATERIAL, AND RESIN COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC (JP) 2011-12-29 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-20110319584-A1 ADAMANTANE DERIVATIVE, METHOD FOR PRODUCING SAME, POLYMER USING SAME AS STARTING MATERIAL, AND RESIN COMPOSITION EEF1A1, ADGRF1, ERCC4 CYP17A1 2378/4885CYP19A1 2970/4885NPSR1 2902/4885

“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.