SCHEMBL22992126

SCHEMBL22992126

CC#Cc1cc(C)c(C2C(=O)CCCN(c3ccccn3)CCCC2O)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 3/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 2/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HPGD P15428 1/20 0.35
POLB P06746 2/20 0.35
PROKR1 Q8TCW9 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
SCHEMBL22992139 0.89 RAB9A (0.36) KDM4EALDH1A1HTTHSD17B10MEN1
SCHEMBL22992239 0.84 PARP14 (0.35) POLB
SCHEMBL22992111 0.83 TRPV1 (0.38) POLB
SCHEMBL22992231 0.83 KDR (0.38) KDM4EALDH1A1MEN1KMT2APOLB
SCHEMBL22992135 0.82 PROKR1 (0.33) PROKR1
SCHEMBL21344652 0.80
SCHEMBL19773776 0.79 CNR1 (0.36)
SCHEMBL21343902 0.79 CDK5 (0.37) HSD17B10KMT2APOLB
SCHEMBL22992154 0.79 RECQL (0.42) KDM4EALDH1A1HTTKMT2APOLB
SCHEMBL22992213 0.77 GRM5 (0.35) PROKR1

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 KDM4E 566/4885ALDH1A1 57/4885HTT 1067/4885
US-12043599-B2 Herbicidal compounds DDT, CBR3, GLRX3 KDM4E 566/4885ALDH1A1 57/4885HTT 1067/4885

“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.