SCHEMBL17616918

SCHEMBL17616918

CC1(C)C=CC(=O)[C@@]2(C)C1CC(=O)[C@]1(C)C2CCC2(C)C(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
▸ USP2 O75604 7/20 1.00
▸ MAPT P10636 6/20 0.75
▸ TP53 P04637 4/20 0.75
▸ SLCO1B3 Q9NPD5 2/20 0.65
▸ SLCO1B1 Q9Y6L6 2/20 0.65
▸ ABCB1 P08183 1/20 0.63
▸ RECQL P46063 1/20 0.63
▸ SMN1; SMN2 Q16637 6/20 0.57
▸ LMNA P02545 3/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ PTPN1 P18031 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ APEX1 P27695 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
Deacetoxy-7-Oxogedunin SCHEMBL12998441 0.85 CYP3A4 (1.00) CYP3A4USP2MAPTTP53SLCO1B3
Deacetoxy-7-Oxogedunin SCHEMBL20639417 0.85 CYP3A4 (1.00) CYP3A4USP2MAPTTP53SLCO1B3
SCHEMBL10019482 0.83 CYP3A4 (1.00) CYP3A4USP2MAPTTP53SLCO1B3
Obacunone SCHEMBL564187 0.81 CYP3A4 (0.79) CYP3A4USP2MAPTTP53SLCO1B3
Obacunone SCHEMBL20733839 0.81 CYP3A4 (0.79) CYP3A4USP2MAPTTP53SLCO1B3
Obacunone SCHEMBL18324167 0.81 CYP3A4 (0.79) CYP3A4USP2MAPTTP53SLCO1B3
SCHEMBL13424846 0.80 CYP3A4 (1.00) CYP3A4USP2MAPTTP53SLCO1B3
SCHEMBL10019462 0.80 CYP3A4 (1.00) CYP3A4USP2MAPTTP53SLCO1B3
SCHEMBL22899842 0.79 CYP3A4 (0.69) CYP3A4USP2MAPTTP53SLCO1B3
SCHEMBL10019483 0.79 CYP3A4 (1.00) CYP3A4USP2MAPTTP53SLCO1B3

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-20160082015-A1 METHODS, COMPOSITIONS AND KITS FOR PROMOTING MOTOR NEURON SURVIVAL AND TREATING AND DIAGNOSING NEURODEGENERATIVE DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-03-24 — — 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-20160082015-A1 METHODS, COMPOSITIONS AND KITS FOR PROMOTING MOTOR NEURON SURVIVAL AND TREATING AND DIAGNOSING NEURODEGENERATIVE DISORDERS SMN1; SMN2, SOD1, NEFM CYP3A4 4882/4885USP2 1129/4885MAPT 35/4885

“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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