SCHEMBL10019467

SCHEMBL10019467

CC1(C)C(=O)C=C[C@@]2(C)C1CC[C@]1(C)C2CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]321

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 14/20 0.78
▸ USP2 O75604 8/20 0.78
▸ MAPT P10636 5/20 0.78
▸ TP53 P04637 4/20 0.78
▸ SMN1; SMN2 Q16637 5/20 0.75
▸ LMNA P02545 2/20 0.75
▸ MEN1 O00255 1/20 0.75
▸ KMT2A Q03164 1/20 0.75
▸ NPSR1 Q6W5P4 1/20 0.69
▸ SLCO1B3 Q9NPD5 2/20 0.57
▸ SLCO1B1 Q9Y6L6 2/20 0.57
▸ MAPK1 P28482 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.52
▸ ABCB1 P08183 1/20 0.51
▸ RECQL P46063 1/20 0.51
▸ MIF P14174 1/20 0.51

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
Deacetoxy-7-Oxogedunin SCHEMBL12998441 0.88 CYP3A4 (1.00) CYP3A4USP2MAPTTP53SMN1; SMN2
Deacetoxy-7-Oxogedunin SCHEMBL20639417 0.88 CYP3A4 (1.00) CYP3A4USP2MAPTTP53SMN1; SMN2
Deacetylgedunin SCHEMBL10019480 0.86 CYP3A4 (1.00) CYP3A4USP2MAPTTP53SMN1; SMN2
SCHEMBL18712784 0.84 CYP3A4 (0.59) CYP3A4USP2MAPTTP53SMN1; SMN2
SCHEMBL12998355 0.84 CYP3A4 (1.00) CYP3A4USP2MAPTTP53SMN1; SMN2
SCHEMBL30379934 0.84 CYP3A4 (1.00) CYP3A4USP2MAPTTP53SMN1; SMN2
Gedunin SCHEMBL23134885 0.82 CYP3A4 (1.00) CYP3A4USP2MAPTTP53SMN1; SMN2
Gedunin SCHEMBL598969 0.82 CYP3A4 (1.00) CYP3A4USP2MAPTTP53SMN1; SMN2
SCHEMBL12239950 0.82 CYP3A4 (0.77) CYP3A4USP2MAPTTP53SMN1; SMN2
Gedunin SCHEMBL14197009 0.82 CYP3A4 (1.00) CYP3A4USP2MAPTTP53SMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9200046-B2 Reporter system for high throughput screening of compounds and uses thereof CORNELL UNIVERSITY (US) 2015-12-01 — — US disclosed
US-20130005666-A1 REPORTER SYSTEM FOR HIGH THROUGHPUT SCREENING OF COMPOUNDS AND USES THEREOF CORNELL UNIVERSITY (US) 2013-01-03 — — US disclosed
US-8114619-B2 Methods for diagnosis and optimizing treatment of multiple sclerosis THE JOHNS HOPKINS UNIVERSITY (US) 2012-02-14 — — US disclosed
US-8114619-B2 Methods for diagnosis and optimizing treatment of multiple sclerosis THE JOHNS HOPKINS UNIVERSITY (US) 2012-02-14 — — US disclosed
US-20100137420-A1 Methods and Compositions for Diagnosis and Treatment of Multiple Sclerosis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-06-03 — — US disclosed
US-20100137420-A1 Methods and Compositions for Diagnosis and Treatment of Multiple Sclerosis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-06-03 — — 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-20130005666-A1 REPORTER SYSTEM FOR HIGH THROUGHPUT SCREENING OF COMPOUNDS AND USES THEREOF NFE2, NFE2L2, UBE2N CYP3A4 2576/4885USP2 108/4885MAPT 1707/4885
US-20100137420-A1 Methods and Compositions for Diagnosis and Treatment of Multiple Sclerosis CTSB, CSTB, CTSG CYP3A4 4717/4885USP2 877/4885MAPT 1385/4885

“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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