SCHEMBL21961902

SCHEMBL21961902

CCCCCCCCCC1(C)CC(=O)O1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.45
PTPN1 P18031 6/20 0.39
ACP1 P24666 4/20 0.39
CDC25B P30305 4/20 0.39
CPT1A P50416 1/20 0.37
PRKCA P17252 1/20 0.37
CYP1A2 P05177 2/20 0.37
MAPT P10636 1/20 0.36
CYP19A1 P11511 1/20 0.36

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
SCHEMBL17696764 1.00 SIRT2 (0.45) SIRT2PTPN1ACP1CDC25BCPT1A
SCHEMBL21961906 0.98 SIRT2 (0.42) SIRT2PTPN1ACP1CDC25BCPT1A
SCHEMBL21961910 0.83
SCHEMBL10186569 0.79 SIRT2 (0.53) SIRT2PTPN1ACP1CDC25BPRKCA
SCHEMBL3659625 0.79 SIRT2 (0.53) SIRT2PTPN1ACP1CDC25BPRKCA
SCHEMBL15526485 0.79 SIRT2 (0.53) SIRT2PTPN1ACP1CDC25BPRKCA
SCHEMBL663852 0.79 SIRT2 (0.53) SIRT2PTPN1ACP1CDC25BPRKCA
SCHEMBL112728 0.79 SIRT2 (0.53) SIRT2PTPN1ACP1CDC25BPRKCA
SCHEMBL10186571 0.79 SIRT2 (0.53) SIRT2PTPN1ACP1CDC25BPRKCA
SCHEMBL17307358 0.78 MAPT (0.36) SIRT2PTPN1ACP1CDC25BCPT1A

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-20210403445-A1 SYSTEMS AND METHODS FOR REGIOSELECTIVE CARBONYLATION OF 2,2-DISUBSTITUTED EPOXIDES CORNELL UNIVERSITY 2021-12-30 US disclosed
WO-2020102816-A1 SYSTEMS AND METHODS FOR REGIOSELECTIVE CARBONYLATION OF 2,2-DISUBSTITUTED EPOXIDES CORNELL UNIVERSITY (US) 2020-05-22 WO 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-20210403445-A1 SYSTEMS AND METHODS FOR REGIOSELECTIVE CARBONYLATION OF 2,2-DISUBSTITUTED EPOXIDES LTC4S, LSS, CYCS SIRT2 862/4885PTPN1 4008/4885ACP1 3141/4885

“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.