SCHEMBL22992188

SCHEMBL22992188

CC#Cc1cc(C)c(C2C(=O)CC3(CCN(C(=O)COC(C)=O)CC3)CC2=O)c(C)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.33
KDM4E B2RXH2 3/20 0.33
HPGD P15428 2/20 0.33
GLA P06280 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TP53 P04637 2/20 0.32
MAPT P10636 2/20 0.32
MAPK1 P28482 2/20 0.32
TSHR P16473 4/20 0.32
CYP2D6 P10635 4/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GAA P10253 2/20 0.32
LMNA P02545 1/20 0.31
RAB9A P51151 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
SCHEMBL29342835 0.91
SCHEMBL21344671 0.90 ALDH1A1 (0.42) ALDH1A1HPGDHSD17B10TP53MAPK1
SCHEMBL22992187 0.89 CGAS (0.32) ALDH1A1MAPK1CYP1A2CYP3A4
SCHEMBL21343725 0.88 ALDH1A1 (0.35) ALDH1A1KDM4EHPGDTP53MAPT
SCHEMBL21343910 0.88 MAPK1 (0.31) ALDH1A1MAPK1CYP1A2SMN1; SMN2
SCHEMBL21344284 0.87 TSHR (0.32) ALDH1A1HPGDTP53MAPTMAPK1
SCHEMBL22992073 0.87 ALDH1A1 (0.32) ALDH1A1HPGDMAPK1TSHRCYP2D6
SCHEMBL21344847 0.87 NAMPT (0.35) ALDH1A1HPGDHSD17B10MAPK1TSHR
SCHEMBL21332069 0.87 CYP2D6 (0.32) ALDH1A1HPGDHSD17B10MAPK1TSHR
SCHEMBL23344433 0.87 OPRM1 (0.34) TSHR

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 4 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-12043599-B2 Herbicidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2024-07-23 US disclosed
EP-3762378-B1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2022-05-18 EP 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 57/4885KDM4E 566/4885HPGD 865/4885
US-12043599-B2 Herbicidal compounds DDT, CBR3, GLRX3 ALDH1A1 57/4885KDM4E 566/4885HPGD 865/4885

“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.