SCHEMBL22992162

SCHEMBL22992162

CC#Cc1cc(C)c(C2C(=O)CCCN(C(=O)CC3OCCO3)CCCC2=O)c(C)c1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HSD17B10 Q99714 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
KDM4E B2RXH2 1/20 0.30
TP53 P04637 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL21343724 0.86
SCHEMBL23344434 0.86 MEN1 (0.36) ALDH1A1GAAL3MBTL1HSD17B10CHRM2
SCHEMBL22992163 0.85
SCHEMBL23344423 0.82 CNR1 (0.32)
SCHEMBL29342759 0.82 NAMPT (0.34) ALDH1A1HSD17B10KDM4ETSHRMAPK1
SCHEMBL24324949 0.80 NPC1 (0.31)
SCHEMBL22907832 0.80 ACACB (0.32) TSHR
SCHEMBL23344428 0.79 LMNA (0.31) MAPK1
SCHEMBL24469123 0.78 LIPE (0.30)
SCHEMBL22992083 0.78 HPGD (0.34) ALDH1A1GAATSHRMAPK1

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 ALDH1A1 57/4885GAA 206/4885L3MBTL1 1183/4885
US-12043599-B2 Herbicidal compounds DDT, CBR3, GLRX3 ALDH1A1 57/4885GAA 206/4885L3MBTL1 1183/4885

“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.