SCHEMBL12998355

SCHEMBL12998355

CC1(C)C(=O)C=C[C@@]2(C)C1C=C[C@]1(C)C2CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)C3OC321

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 14/20 1.00
▸ SMN1; SMN2 Q16637 6/20 1.00
▸ MAPT P10636 5/20 1.00
▸ TP53 P04637 4/20 1.00
▸ USP2 O75604 7/20 0.67
▸ LMNA P02545 2/20 0.65
▸ MEN1 O00255 1/20 0.65
▸ KMT2A Q03164 1/20 0.65
▸ NPSR1 Q6W5P4 1/20 0.59
▸ SLCO1B3 Q9NPD5 2/20 0.53
▸ SLCO1B1 Q9Y6L6 2/20 0.53
▸ MAPK1 P28482 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.49
▸ ABCB1 P08183 1/20 0.48
▸ RECQL P46063 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
SCHEMBL30379934 1.00 CYP3A4 (1.00) CYP3A4SMN1; SMN2MAPTTP53USP2
SCHEMBL10019467 0.84 CYP3A4 (0.78) CYP3A4SMN1; SMN2MAPTTP53USP2
Deacetoxy-7-Oxogedunin SCHEMBL20639417 0.80 CYP3A4 (1.00) CYP3A4SMN1; SMN2MAPTTP53USP2
Deacetoxy-7-Oxogedunin SCHEMBL12998441 0.80 CYP3A4 (1.00) CYP3A4SMN1; SMN2MAPTTP53USP2
Deacetylgedunin SCHEMBL10019480 0.79 CYP3A4 (1.00) CYP3A4SMN1; SMN2MAPTTP53USP2
Gedunin SCHEMBL23134885 0.75 CYP3A4 (1.00) CYP3A4SMN1; SMN2MAPTTP53USP2
Gedunin SCHEMBL598969 0.75 CYP3A4 (1.00) CYP3A4SMN1; SMN2MAPTTP53USP2
SCHEMBL12239950 0.75 CYP3A4 (0.77) CYP3A4SMN1; SMN2MAPTTP53USP2
Gedunin SCHEMBL14197009 0.75 CYP3A4 (1.00) CYP3A4SMN1; SMN2MAPTTP53USP2
Gedunin SCHEMBL12998444 0.75 CYP3A4 (1.00) CYP3A4SMN1; SMN2MAPTTP53USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023018273-A1 COMPOSITION FOR PREVENTION, ALLEVIATION, OR TREATMENT OF PIGMENT DISEASE 연세대학교 산학협력단 2023-02-16 — — WO claimed
US-11873486-B2 Modulating dsRNA editing, sensing, and metabolism to increase tumor immunity and improve the efficacy of cancer immunotherapy and/or modulators of intratumoral interferon DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-01-16 — — US disclosed
WO-2023018273-A1 COMPOSITION FOR PREVENTION, ALLEVIATION, OR TREATMENT OF PIGMENT DISEASE 연세대학교 산학협력단 2023-02-16 — — WO disclosed
WO-2023018273-A1 COMPOSITION FOR PREVENTION, ALLEVIATION, OR TREATMENT OF PIGMENT DISEASE 연세대학교 산학협력단 2023-02-16 — — WO 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

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-20100305068-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING GOLT1B, NPC1L1, NPC1 CYP3A4 4800/4885SMN1; SMN2 210/4885MAPT 459/4885

“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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