SCHEMBL22040140

SCHEMBL22040140

CC1(C)OC(=O)C=CC2(C)C1CC(=O)C1(C)C2CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)CC12C

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 12/20 0.56
▸ MAPT P10636 7/20 0.56
▸ TP53 P04637 6/20 0.56
▸ USP2 O75604 5/20 0.56
▸ SLCO1B3 Q9NPD5 2/20 0.51
▸ SLCO1B1 Q9Y6L6 2/20 0.51
▸ ABCB1 P08183 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ SMN1; SMN2 Q16637 7/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ PTPN1 P18031 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL20733840 0.85 CYP3A4 (0.57) CYP3A4MAPTTP53USP2SLCO1B3
Obacunone SCHEMBL18324167 0.84 CYP3A4 (0.79) CYP3A4MAPTTP53USP2SLCO1B3
Obacunone SCHEMBL564187 0.84 CYP3A4 (0.79) CYP3A4MAPTTP53USP2SLCO1B3
Obacunone SCHEMBL20733839 0.84 CYP3A4 (0.79) CYP3A4MAPTTP53USP2SLCO1B3
SCHEMBL22040131 0.82 CYP3A4 (0.53) CYP3A4MAPTTP53USP2SLCO1B3
Deacetoxy-7-Oxogedunin SCHEMBL12998441 0.72 CYP3A4 (1.00) CYP3A4MAPTTP53USP2SLCO1B3
Deacetoxy-7-Oxogedunin SCHEMBL20639417 0.72 CYP3A4 (1.00) CYP3A4MAPTTP53USP2SLCO1B3
SCHEMBL31507072 0.71 HSP90AA1 (0.58) CYP3A4MAPTTP53USP2SLCO1B3
SCHEMBL22899842 0.70 CYP3A4 (0.69) CYP3A4MAPTTP53USP2SLCO1B3
SCHEMBL29385694 0.68 CYP3A4 (0.75) CYP3A4MAPTTP53USP2SLCO1B3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11253567-B2 Citrus seed extract-containing composition, food, drug, and method for producing citrus seed extract-containing composition KIKKOMAN CORPORATION (JP) 2022-02-22 — — US disclosed
US-20200164018-A1 CITRUS SEED EXTRACT-CONTAINING COMPOSITION, FOOD, DRUG, AND METHOD FOR PRODUCING CITRUS SEED EXTRACT-CONTAINING COMPOSITION KIKKOMAN CORPORATION (JP) 2020-05-28 — — 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-11253567-B2 Citrus seed extract-containing composition, food, drug, and method for producing citrus seed extract-containing composition OCIAD1, MLN, OCIAD2 CYP3A4 330/4885MAPT 1084/4885TP53 3125/4885
US-20200164018-A1 CITRUS SEED EXTRACT-CONTAINING COMPOSITION, FOOD, DRUG, AND METHOD FOR PRODUCING CITRUS SEED EXTRACT-CONTAINING COMPOSITION OCIAD1, MLN, OCIAD2 CYP3A4 330/4885MAPT 1084/4885TP53 3125/4885

“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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