SCHEMBL14224617

SCHEMBL14224617

CC(=O)CC1CC2C(C)(C)C(=O)C=CC2(C)C2CC[C@@]3(C)[C@H](C4=COCC4)OC(=O)[C@H]4O[C@]43[C@]12C

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 13/20 0.53
▸ USP2 O75604 10/20 0.53
▸ SMN1; SMN2 Q16637 7/20 0.53
▸ MAPT P10636 7/20 0.53
▸ TP53 P04637 4/20 0.53
▸ LMNA P02545 3/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ MIF P14174 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.39
▸ ALOX15 P16050 1/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ APEX1 P27695 1/20 0.35
▸ SLCO1B3 Q9NPD5 1/20 0.35
▸ SLCO1B1 Q9Y6L6 1/20 0.35

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
SCHEMBL12239950 0.83 CYP3A4 (0.77) CYP3A4USP2SMN1; SMN2MAPTTP53
Deacetylgedunin SCHEMBL10019480 0.69 CYP3A4 (1.00) CYP3A4USP2SMN1; SMN2MAPTTP53
Gedunin SCHEMBL12998444 0.69 CYP3A4 (1.00) CYP3A4USP2SMN1; SMN2MAPTTP53
Gedunin SCHEMBL10019479 0.69 CYP3A4 (1.00) CYP3A4USP2SMN1; SMN2MAPTTP53
Gedunin SCHEMBL16731398 0.69 CYP3A4 (1.00) CYP3A4USP2SMN1; SMN2MAPTTP53
Gedunin SCHEMBL23134885 0.69 CYP3A4 (1.00) CYP3A4USP2SMN1; SMN2MAPTTP53
Gedunin SCHEMBL598969 0.69 CYP3A4 (1.00) CYP3A4USP2SMN1; SMN2MAPTTP53
Gedunin SCHEMBL12664640 0.69 CYP3A4 (1.00) CYP3A4USP2SMN1; SMN2MAPTTP53
Gedunin SCHEMBL14197009 0.69 CYP3A4 (1.00) CYP3A4USP2SMN1; SMN2MAPTTP53
Gedunin SCHEMBL17603575 0.69 CYP3A4 (1.00) CYP3A4USP2SMN1; SMN2MAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20080090897-A1 Compositions and methods for neuroprotectin GAP43, NLN, NEFM CYP3A4 4638/4885USP2 2335/4885SMN1; SMN2 17/4885

“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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