SCHEMBL1115738

SCHEMBL1115738

CC(C)(C)[Si](C)(C)O[C@@H]1CC[C@@]2(C)C(C1)[C@@H](O)C[C@H]1[C@@H]3CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@]3(C)CC[C@@H]12

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 3/20 0.35
▸ MAPT P10636 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ PPM1D O15297 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
SCHEMBL1115709 1.00 GPBAR1 (0.35) GPBAR1MAPTTHRBPPM1D
SCHEMBL7296344 0.89 CYP19A1 (0.43) GPBAR1
SCHEMBL4340293 0.89 CYP19A1 (0.43) GPBAR1
SCHEMBL7297224 0.89 CYP19A1 (0.43) GPBAR1
SCHEMBL22105689 0.84 GPBAR1 (0.46) GPBAR1MAPTTHRB
SCHEMBL1115367 0.84 CYP2C19 (0.36) MAPTPPM1D
SCHEMBL1115659 0.84 CYP2C19 (0.36) MAPTPPM1D
SCHEMBL20012021 0.81 L3MBTL1 (0.35) GPBAR1PPM1D
SCHEMBL20011997 0.81 L3MBTL1 (0.35) GPBAR1PPM1D
SCHEMBL19125014 0.81 L3MBTL1 (0.35) GPBAR1PPM1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8022203-B2 Amino derivatives of beta-homoandrostanes and beta-heteroandrostanes SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2011-09-20 — — US disclosed
EP-2032593-B1 AMINO DERIVATIVES OF B-HOMOANDROSTANES AND B-HETEROANDROSTANES SIGMA TAU IND FARMACEUTI (IT) 2011-02-02 — — EP disclosed
US-20090209506-A1 AMINO DERIVATIVES OF BETA-HOMOANDROSTANES AND BETA-HETEROANDROSTANES SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2009-08-20 — — US disclosed
EP-2032593-A1 AMINO DERIVATIVES OF B-HOMOANDROSTANES AND B-HETEROANDROSTANES SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2009-03-11 — — EP disclosed
WO-2007147713-A1 AMINO DERIVATIVES OF B-HOMOANDROSTANES AND B-HETEROANDROSTANES SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2007-12-27 — — WO 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-20090209506-A1 AMINO DERIVATIVES OF BETA-HOMOANDROSTANES AND BETA-HETEROANDROSTANES CYP11B2, PTGIS, PTGER1 GPBAR1 91/4885MAPT 4808/4885THRB 430/4885

“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.

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