SCHEMBL12998461

SCHEMBL12998461

CC(=O)O[C@@H]1CC2C(C)(C)CCC[C@]2(C)C2CC[C@]3(C)C(=CC(=O)O[C@H]3c3ccoc3)[C@@]21C

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 12/20 0.81
▸ SLCO1B3 Q9NPD5 8/20 0.81
▸ SLCO1B1 Q9Y6L6 8/20 0.81
▸ USP2 O75604 8/20 0.81
▸ SMN1; SMN2 Q16637 4/20 0.81
▸ TP53 P04637 4/20 0.81
▸ ALDH1A1 P00352 3/20 0.81
▸ MAPT P10636 3/20 0.81
▸ TDP1 Q9NUW8 2/20 0.81
▸ HPGD P15428 1/20 0.71
▸ MAPK1 P28482 1/20 0.71
▸ LMNA P02545 1/20 0.49
▸ APEX1 P27695 1/20 0.49

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
SCHEMBL10019453 1.00 CYP3A4 (0.81) CYP3A4SLCO1B3SLCO1B1USP2SMN1; SMN2
3Beta,7Beta-Diacetoxydeoxodeacetoxydeoxydihydrogedunin SCHEMBL13424841 0.90 CYP3A4 (1.00) CYP3A4SLCO1B3SLCO1B1USP2SMN1; SMN2
3Beta,7Beta-Diacetoxydeoxodeacetoxydeoxydihydrogedunin SCHEMBL14196987 0.90 CYP3A4 (1.00) CYP3A4SLCO1B3SLCO1B1USP2SMN1; SMN2
3Beta,7Beta-Diacetoxydeoxodeacetoxydeoxydihydrogedunin SCHEMBL13424844 0.90 CYP3A4 (1.00) CYP3A4SLCO1B3SLCO1B1USP2SMN1; SMN2
3Beta,7Beta-Diacetoxydeoxodeacetoxydeoxydihydrogedunin SCHEMBL13424818 0.90 CYP3A4 (1.00) CYP3A4SLCO1B3SLCO1B1USP2SMN1; SMN2
3Beta,7Beta-Diacetoxydeoxodeacetoxydeoxydihydrogedunin SCHEMBL10019459 0.90 CYP3A4 (1.00) CYP3A4SLCO1B3SLCO1B1USP2SMN1; SMN2
3Beta,7Beta-Diacetoxydeoxodeacetoxydeoxydihydrogedunin SCHEMBL10019457 0.90 CYP3A4 (1.00) CYP3A4SLCO1B3SLCO1B1USP2SMN1; SMN2
3Beta,7Beta-Diacetoxydeoxodeacetoxydeoxydihydrogedunin SCHEMBL9975312 0.90 CYP3A4 (1.00) CYP3A4SLCO1B3SLCO1B1USP2SMN1; SMN2
SCHEMBL10019460 0.88 CYP3A4 (1.00) CYP3A4SLCO1B3SLCO1B1USP2SMN1; SMN2
SCHEMBL800981 0.88 CYP3A4 (1.00) CYP3A4SLCO1B3SLCO1B1USP2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305068-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-02 — — US disclosed
US-20100305068-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-02 — — US disclosed
US-20080090897-A1 Compositions and methods for neuroprotectin THE JOHNS HOPKINS UNIVERSITY (US) 2008-04-17 — — US disclosed
US-20080090897-A1 Compositions and methods for neuroprotectin THE JOHNS HOPKINS UNIVERSITY (US) 2008-04-17 — — 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 (2 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-20100305068-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING GOLT1B, NPC1L1, NPC1 CYP3A4 4800/4885SLCO1B3 3991/4885SLCO1B1 3936/4885
US-20080090897-A1 Compositions and methods for neuroprotectin GAP43, NLN, NEFM CYP3A4 4638/4885SLCO1B3 4377/4885SLCO1B1 4427/4885

“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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