SCHEMBL1115659

SCHEMBL1115659

CC(=O)O[C@H]1C[C@H]2[C@@H]3CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)CC12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.36
▸ MAPK1 P28482 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ PPM1D O15297 1/20 0.35
▸ CYP19A1 P11511 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ BRCA1 P38398 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ VDR P11473 1/20 0.34

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
SCHEMBL1115367 1.00 CYP2C19 (0.36) CYP2C19MAPK1ALDH1A1TP53MAPT
SCHEMBL7296751 0.96 CYP2C19 (0.40) CYP2C19MAPK1TP53MAPTCYP19A1
SCHEMBL1115738 0.84 GPBAR1 (0.35) MAPTPPM1D
SCHEMBL1115709 0.84 GPBAR1 (0.35) MAPTPPM1D
SCHEMBL1060416 0.81 GRIN2D (0.45) CYP2C19MAPK1MEN1KMT2ALMNA
SCHEMBL18716764 0.81 GRIN2D (0.45) CYP2C19MAPK1MEN1KMT2ALMNA
SCHEMBL7296749 0.81 CYP19A1 (0.38) CYP2C19MAPK1TP53MAPTPPM1D
SCHEMBL8964923 0.76 GABRP (0.39) MAPK1TP53MAPTCYP19A1MEN1
SCHEMBL1115368 0.75 USP2 (0.38) CYP2C19MAPK1ALDH1A1TP53MAPT
SCHEMBL1115366 0.75 USP2 (0.38) CYP2C19MAPK1ALDH1A1TP53MAPT

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 CYP2C19 101/4885MAPK1 2112/4885ALDH1A1 734/4885

“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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