SCHEMBL25101239

SCHEMBL25101239

CCCCCCCC(C)(CCCCCCC)C1CC1(F)F

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.33
LPAR1 Q92633 1/20 0.33
LPAR3 Q9UBY5 1/20 0.33
TSHR P16473 1/20 0.32
THRB P10828 1/20 0.32
GGPS1 O95749 6/20 0.31
FDPS P14324 8/20 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
SCHEMBL25101424 1.00 CES2 (0.33) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL22624007 1.00 CES2 (0.33) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL22624022 0.98 CES2 (0.32) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL22624121 0.96 CES2 (0.32) CES2LPAR1LPAR3
SCHEMBL22624033 0.92
SCHEMBL22624072 0.88
SCHEMBL22623953 0.84
SCHEMBL22624122 0.84 CES2 (0.33) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL22624092 0.83
SCHEMBL19628911 0.78 CES2 (0.36) CES2LPAR1LPAR3TSHRTHRB

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 CES2 1181/4885LPAR1 2436/4885LPAR3 1368/4885

“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.