SCHEMBL25101326

SCHEMBL25101326

CC1(C)CC(=O)C(C(C)(C)C)C(O)C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
HIF1A Q16665 1/20 0.33
PTPN1 P18031 1/20 0.32
MGAM O43451 2/20 0.32
GAA P10253 2/20 0.32
KMT2A Q03164 2/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL569284 0.70
SCHEMBL21663023 0.67 MAPT (0.40) MAPTALDH1A1KDM4EPOLBTSHR
SCHEMBL14707347 0.66 MAPT (0.50) MAPTALDH1A1KDM4EPOLBTSHR
SCHEMBL15831116 0.65 MAPT (0.45) MAPTALDH1A1KDM4EPOLBTSHR
SCHEMBL9348170 0.65 MAPT (0.54) MAPTALDH1A1KDM4EPOLBTSHR
SCHEMBL11672488 0.64 MAPT (0.35) MAPTALDH1A1KDM4EPOLBTSHR
SCHEMBL27017147 0.64 MAPT (0.43) MAPTALDH1A1KDM4EPOLBTSHR
SCHEMBL21247206 0.63
SCHEMBL108518 0.63
SCHEMBL11617099 0.63 MAPT (0.46) MAPTALDH1A1KDM4EPOLBTSHR

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-20230075221-A1 SUBSTITUTED 1,2,4-TRIAZOLO[4,3-A]PYRIDINE DERIVATIVE AND PREPARATION METHOD, HERBICIDAL COMPOSITION AND APPLICATION THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2023-03-09 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-20230075221-A1 SUBSTITUTED 1,2,4-TRIAZOLO[4,3-A]PYRIDINE DERIVATIVE AND PREPARATION METHOD, HERBICIDAL COMPOSITION AND APPLICATION THEREOF TH, CYP4X1, CYP4B1 MAPT 4382/4885ALDH1A1 1179/4885KDM4E 217/4885

“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.