SCHEMBL12998455

SCHEMBL12998455

CC1(C)C(=O)C=C[C@@]2(C)C1CC(=O)[C@@]1(C)C3=CC(=O)O[C@@H](c4ccoc4)[C@]3(C)CCC12

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 13/20 0.63
▸ TP53 P04637 7/20 0.63
▸ SMN1; SMN2 Q16637 7/20 0.63
▸ SLCO1B3 Q9NPD5 5/20 0.63
▸ SLCO1B1 Q9Y6L6 5/20 0.63
▸ TDP1 Q9NUW8 1/20 0.63
▸ MAPT P10636 8/20 0.59
▸ USP2 O75604 8/20 0.59
▸ ALDH1A1 P00352 3/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ LMNA P02545 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
SCHEMBL25034707 0.87 CYP3A4 (0.70) CYP3A4TP53SMN1; SMN2SLCO1B3SLCO1B1
SCHEMBL10019477 0.82 CYP3A4 (0.77) CYP3A4TP53SMN1; SMN2SLCO1B3SLCO1B1
SCHEMBL10033988 0.82 CYP3A4 (0.71) CYP3A4TP53SMN1; SMN2SLCO1B3SLCO1B1
SCHEMBL9973669 0.77 CYP3A4 (1.00) CYP3A4TP53SMN1; SMN2SLCO1B3SLCO1B1
SCHEMBL20639350 0.77 CYP3A4 (1.00) CYP3A4TP53SMN1; SMN2SLCO1B3SLCO1B1
SCHEMBL10019478 0.77 CYP3A4 (1.00) CYP3A4TP53SMN1; SMN2SLCO1B3SLCO1B1
SCHEMBL17616912 0.77 CYP3A4 (1.00) CYP3A4TP53SMN1; SMN2SLCO1B3SLCO1B1
SCHEMBL14197006 0.77 CYP3A4 (1.00) CYP3A4TP53SMN1; SMN2SLCO1B3SLCO1B1
SCHEMBL598727 0.77 CYP3A4 (1.00) CYP3A4TP53SMN1; SMN2SLCO1B3SLCO1B1
Deacetoxy-7-Oxogedunin SCHEMBL20639417 0.74 CYP3A4 (1.00) CYP3A4TP53SMN1; SMN2SLCO1B3SLCO1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9289412-B2 Role of limonoid compounds as neuroprotective agents THE JOHNS HOPKINS UNIVERSITY (US) 2016-03-22 — — US disclosed
US-9289412-B2 Role of limonoid compounds as neuroprotective agents THE JOHNS HOPKINS UNIVERSITY (US) 2016-03-22 — — US disclosed
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-20100056617-A1 Role of limonoid compounds as neuroprotective agents THE JOHNS HOPKINS UNIVERSITY (US) 2010-03-04 — — US disclosed
US-20100056617-A1 Role of limonoid compounds as neuroprotective agents THE JOHNS HOPKINS UNIVERSITY (US) 2010-03-04 — — 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 (3 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-20100056617-A1 Role of limonoid compounds as neuroprotective agents NLN, SMN1; SMN2, CLN6 CYP3A4 4706/4885TP53 3505/4885SMN1; SMN2 2/4885
US-20100305068-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING GOLT1B, NPC1L1, NPC1 CYP3A4 4800/4885TP53 3539/4885SMN1; SMN2 210/4885
US-20080090897-A1 Compositions and methods for neuroprotectin GAP43, NLN, NEFM CYP3A4 4638/4885TP53 3579/4885SMN1; 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.

Send feedback