SCHEMBL22992111

SCHEMBL22992111

CC#Cc1cc(C)c(C2C(=O)CCCN(C(=O)Nc3ccccn3)CCCC2O)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.38
FAAH O00519 4/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
CCNB2 O95067 1/20 0.35
LCK P06239 1/20 0.35
CDK1 P06493 1/20 0.35
PDGFRB P09619 1/20 0.35
FGFR1 P11362 1/20 0.35
CDK4 P11802 1/20 0.35
CCNB1 P14635 1/20 0.35
FLT1 P17948 1/20 0.35
CCNA2 P20248 1/20 0.35
CCND1 P24385 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
CDK6 Q00534 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
BTK Q06187 3/20 0.35
MAP3K12 Q12852 1/20 0.35

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
SCHEMBL21343902 0.88 CDK5 (0.37) TRPV1POLB
SCHEMBL22992043 0.84 FAAH (0.39) TRPV1FAAH
SCHEMBL22992135 0.83 PROKR1 (0.33) GRM5
SCHEMBL22992231 0.83 KDR (0.38) FNTAFNTBPOLB
SCHEMBL22992126 0.83 KDM4E (0.38) POLB
SCHEMBL22992139 0.80 RAB9A (0.36)
SCHEMBL22992154 0.80 RECQL (0.42) POLB
SCHEMBL22992239 0.80 PARP14 (0.35) POLB
SCHEMBL24324679 0.79 NPC1 (0.37) GRM5POLB
SCHEMBL21343679 0.78 MEN1 (0.34)

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-12043599-B2 Herbicidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2024-07-23 US disclosed
US-20210047274-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2021-02-18 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-20210047274-A1 HERBICIDAL COMPOUNDS DDT, CBR3, GLRX3 TRPV1 2779/4885FAAH 750/4885FNTA 1960/4885
US-12043599-B2 Herbicidal compounds DDT, CBR3, GLRX3 TRPV1 2779/4885FAAH 750/4885FNTA 1960/4885

“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.