SCHEMBL10019478

SCHEMBL10019478

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 10/20 1.00
▸ SLCO1B3 Q9NPD5 8/20 1.00
▸ SLCO1B1 Q9Y6L6 8/20 1.00
▸ SMN1; SMN2 Q16637 6/20 1.00
▸ TP53 P04637 4/20 1.00
▸ TDP1 Q9NUW8 2/20 1.00
▸ USP2 O75604 6/20 0.76
▸ MAPT P10636 4/20 0.76
▸ ALDH1A1 P00352 3/20 0.76
▸ HPGD P15428 1/20 0.69
▸ MAPK1 P28482 1/20 0.69
▸ LMNA P02545 1/20 0.63
▸ NPSR1 Q6W5P4 1/20 0.63
▸ MIF P14174 1/20 0.58

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
SCHEMBL9973669 1.00 CYP3A4 (1.00) CYP3A4SLCO1B3SLCO1B1SMN1; SMN2TP53
SCHEMBL14197006 1.00 CYP3A4 (1.00) CYP3A4SLCO1B3SLCO1B1SMN1; SMN2TP53
SCHEMBL20639350 1.00 CYP3A4 (1.00) CYP3A4SLCO1B3SLCO1B1SMN1; SMN2TP53
SCHEMBL17616912 1.00 CYP3A4 (1.00) CYP3A4SLCO1B3SLCO1B1SMN1; SMN2TP53
SCHEMBL598727 1.00 CYP3A4 (1.00) CYP3A4SLCO1B3SLCO1B1SMN1; SMN2TP53
SCHEMBL9973671 0.92 CYP3A4 (0.85) CYP3A4SLCO1B3SLCO1B1SMN1; SMN2TP53
SCHEMBL10019477 0.87 CYP3A4 (0.77) CYP3A4SLCO1B3SLCO1B1SMN1; SMN2TP53
SCHEMBL9973651 0.87 CYP3A4 (0.77) CYP3A4SLCO1B3SLCO1B1SMN1; SMN2TP53
Azadiradione SCHEMBL19588462 0.87 CYP3A4 (0.77) CYP3A4SLCO1B3SLCO1B1SMN1; SMN2TP53
Azadiradione SCHEMBL29398035 0.87 CYP3A4 (0.77) CYP3A4SLCO1B3SLCO1B1SMN1; SMN2TP53

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-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
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

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-20100056617-A1 Role of limonoid compounds as neuroprotective agents NLN, SMN1; SMN2, CLN6 CYP3A4 4706/4885SLCO1B3 4501/4885SLCO1B1 4617/4885
US-20100137420-A1 Methods and Compositions for Diagnosis and Treatment of Multiple Sclerosis CTSB, CSTB, CTSG CYP3A4 4717/4885SLCO1B3 3124/4885SLCO1B1 3062/4885

“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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