SCHEMBL22992187

SCHEMBL22992187

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

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CGAS Q8N884 1/20 0.32
CYP3A4 P08684 1/20 0.31
LPAR1 Q92633 1/20 0.31
MAPK1 P28482 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 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
SCHEMBL29341752 0.92 CYP3A4 (0.35) CYP3A4LPAR1MAPK1ALDH1A1CYP1A2
SCHEMBL23344433 0.91 OPRM1 (0.34)
SCHEMBL21344671 0.91 ALDH1A1 (0.42) CYP3A4MAPK1ALDH1A1CYP1A2
SCHEMBL21285095 0.90 YAP1 (0.33) ALDH1A1
SCHEMBL22992167 0.89 MEN1 (0.32) ALDH1A1
SCHEMBL22992090 0.89 JAK2 (0.31)
SCHEMBL22992188 0.89 ALDH1A1 (0.33) CYP3A4MAPK1ALDH1A1CYP1A2
SCHEMBL21343725 0.89 ALDH1A1 (0.35) MAPK1ALDH1A1CYP1A2
SCHEMBL22992163 0.89
SCHEMBL22941608 0.89 JAK1 (0.36) MAPK1ALDH1A1

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 CGAS 3253/4885CYP3A4 245/4885LPAR1 1490/4885
US-12043599-B2 Herbicidal compounds DDT, CBR3, GLRX3 CGAS 3253/4885CYP3A4 245/4885LPAR1 1490/4885

“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.