SCHEMBL25034707

SCHEMBL25034707

CC1(C)C(=O)C=C[C@@]2(C)C1CC[C@@]1(C)C3=CC(=O)O[C@@H](c4ccoc4)[C@]3(C)CCC21

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 12/20 0.70
▸ TP53 P04637 7/20 0.70
▸ SMN1; SMN2 Q16637 7/20 0.70
▸ SLCO1B3 Q9NPD5 7/20 0.70
▸ SLCO1B1 Q9Y6L6 7/20 0.70
▸ TDP1 Q9NUW8 2/20 0.70
▸ MAPT P10636 8/20 0.54
▸ USP2 O75604 8/20 0.54
▸ ALDH1A1 P00352 4/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ LMNA P02545 1/20 0.52

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
SCHEMBL12998455 0.87 CYP3A4 (0.63) CYP3A4TP53SMN1; SMN2SLCO1B3SLCO1B1
SCHEMBL10019477 0.86 CYP3A4 (0.77) CYP3A4TP53SMN1; SMN2SLCO1B3SLCO1B1
SCHEMBL598727 0.83 CYP3A4 (1.00) CYP3A4TP53SMN1; SMN2SLCO1B3SLCO1B1
SCHEMBL20639350 0.83 CYP3A4 (1.00) CYP3A4TP53SMN1; SMN2SLCO1B3SLCO1B1
SCHEMBL10019478 0.83 CYP3A4 (1.00) CYP3A4TP53SMN1; SMN2SLCO1B3SLCO1B1
SCHEMBL14197006 0.83 CYP3A4 (1.00) CYP3A4TP53SMN1; SMN2SLCO1B3SLCO1B1
SCHEMBL9973669 0.83 CYP3A4 (1.00) CYP3A4TP53SMN1; SMN2SLCO1B3SLCO1B1
SCHEMBL17616912 0.83 CYP3A4 (1.00) CYP3A4TP53SMN1; SMN2SLCO1B3SLCO1B1
SCHEMBL10019467 0.76 CYP3A4 (0.78) CYP3A4TP53SMN1; SMN2SLCO1B3SLCO1B1
SCHEMBL9973671 0.75 CYP3A4 (0.85) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230046803-A1 COMBINATION THERAPIES COMPRISING TARGETED THERAPEUTICS MADRIGAL PHARMACEUTICALS INC (US) 2023-02-16 — — 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-20230046803-A1 COMBINATION THERAPIES COMPRISING TARGETED THERAPEUTICS CDC37, HSP90AB1, HSP90B1 CYP3A4 4393/4885TP53 51/4885SMN1; SMN2 3290/4885

“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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