SCHEMBL12989785

SCHEMBL12989785

CN[C@@H](CSCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](C(C)C)[C@@]4(C)CC[C@@H]32)C1)C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.55
▸ FGF2 P09038 1/20 0.53
▸ CYP46A1 Q9Y6A2 1/20 0.51
▸ NR1H3 Q13133 3/20 0.49
▸ NPC1 O15118 1/20 0.48
▸ POLA1 P09884 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL10237705 0.91 CYP46A1 (0.63) CYP1A2CYP46A1NR1H3NPC1POLA1
SCHEMBL25747241 0.91 CYP46A1 (0.63) CYP1A2CYP46A1NR1H3NPC1POLA1
SCHEMBL16476477 0.91 CYP1A2 (0.58) CYP1A2FGF2CYP46A1NR1H3NPC1
SCHEMBL20828510 0.85 CYP1A2 (0.57) CYP1A2FGF2CYP46A1NR1H3NPC1
SCHEMBL25797981 0.84 CYP46A1 (0.62) CYP1A2CYP46A1NR1H3NPC1POLA1
SCHEMBL17212337 0.82 CYP46A1 (0.59) CYP1A2FGF2CYP46A1NR1H3NPC1
SCHEMBL18622135 0.82 CYP46A1 (0.59) CYP1A2FGF2CYP46A1NR1H3NPC1
SCHEMBL19566728 0.81 CYP46A1 (0.67) CYP1A2FGF2CYP46A1NR1H3NPC1
SCHEMBL16476474 0.81 CYP46A1 (0.67) CYP1A2FGF2CYP46A1NR1H3NPC1
SCHEMBL17212338 0.81 POLA1 (0.54) CYP46A1NR1H3NPC1POLA1

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-8629101-B2 Cholesterol derivatives of inhibitors of viral fusion ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.R.L. (IT) 2014-01-14 — — US disclosed
US-20100305028-A1 CHOLESTEROL DERIVATIVES OF INHIBITORS OF VIRAL FUSION MSD ITALIA S.R.L. (IT) 2010-12-02 — — 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-20100305028-A1 CHOLESTEROL DERIVATIVES OF INHIBITORS OF VIRAL FUSION HDLBP, CETP, NPC1 CYP1A2 3237/4885FGF2 1032/4885CYP46A1 10/4885

“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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