SCHEMBL22601282

SCHEMBL22601282

CCCCCCC[C@@H]1COC(=O)C1(C)CCC

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 3/20 0.37
PTPN1 P18031 4/20 0.36
ACP1 P24666 3/20 0.36
CDC25B P30305 3/20 0.36
POLB P06746 1/20 0.35
FASN P49327 1/20 0.35
PRKCA P17252 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CYP2C19 P33261 1/20 0.34
GRM2 Q14416 2/20 0.33

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
SCHEMBL28718996 0.79 CYP1A2 (0.42) CYP1A2PRKCA
SCHEMBL11865670 0.75
SCHEMBL9508162 0.72 TDP1 (0.35) ALDH1A1CYP1A2
SCHEMBL28108927 0.68 CYP1A2 (0.43) ALDH1A1CYP1A2PRKCACYP2C19
SCHEMBL11087724 0.66 CYP1A2 (0.37) ALDH1A1CYP1A2PTPN1ACP1CDC25B
SCHEMBL10073523 0.65 CYP1A2 (0.39) CYP1A2PTPN1ACP1CDC25BPOLB
SCHEMBL713890 0.65 CYP1A2 (0.39) CYP1A2PTPN1ACP1CDC25BPOLB
SCHEMBL1772842 0.65 SIRT2 (0.34) ALDH1A1CYP1A2PRKCAL3MBTL1
SCHEMBL13177714 0.64 ALDH1A1 (0.47) ALDH1A1CYP1A2PRKCA
SCHEMBL8045560 0.64 ALDH1A1 (0.47) ALDH1A1CYP1A2PRKCA

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-11186604-B2 Non-caloric sweeteners and methods for synthesizing CONAGEN INC. (US) 2021-11-30 US disclosed
US-20200339621-A1 NON-CALORIC SWEETENERS AND METHODS FOR SYNTHESIZING CONAGEN INC. (US) 2020-10-29 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-11186604-B2 Non-caloric sweeteners and methods for synthesizing GCKR, ME3, SUCLG2 ALDH1A1 2766/4885CYP1A2 2819/4885PTPN1 2855/4885
US-20200339621-A1 NON-CALORIC SWEETENERS AND METHODS FOR SYNTHESIZING GCKR, ME3, SUCLG2 ALDH1A1 2766/4885CYP1A2 2819/4885PTPN1 2855/4885

“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.