SCHEMBL22992071

SCHEMBL22992071

CC#Cc1cc(C)c(C2=C(OC(=O)OC)CC3(CCN(C(=O)NOC)CC3)CC2=O)c(C)c1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP2D6 P10635 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GRM5 P41594 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
SCHEMBL21343754 0.91 CYP3A4 (0.31) CYP3A4SMN1; SMN2CYP2D6HSD17B10GRM5
SCHEMBL23344449 0.91 GRM5 (0.31) GRM5
SCHEMBL24426505 0.91 GRM5 (0.31) GRM5
SCHEMBL21344703 0.90 RAB9A (0.33)
SCHEMBL21285100 0.90 HIF1A (0.33) CYP3A4CYP2D6GRM5
SCHEMBL21344702 0.89 HTR1A (0.33) CYP3A4SMN1; SMN2
SCHEMBL21344716 0.88 ALDH1A1 (0.34)
SCHEMBL22992198 0.88 GRM5 (0.31) GRM5
SCHEMBL22345621 0.88 GRM5 (0.31) GRM5
SCHEMBL22992091 0.88

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 3 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
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 CYP3A4 245/4885SMN1; SMN2 4727/4885CYP2D6 120/4885
US-12043599-B2 Herbicidal compounds DDT, CBR3, GLRX3 CYP3A4 245/4885SMN1; SMN2 4727/4885CYP2D6 120/4885

“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.