SCHEMBL22992134

SCHEMBL22992134

CC#Cc1cc(C)c(C2C(=O)CC3(CCN(C(=O)c4nccs4)CC3)CC2=O)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 8/20 0.36
RBP4 P02753 1/20 0.35
CYP1A2 P05177 2/20 0.34
USP2 O75604 2/20 0.34
CYP2D6 P10635 2/20 0.34
TSHR P16473 2/20 0.34
CYP3A4 P08684 5/20 0.33
CYP2C9 P11712 3/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SMO Q99835 1/20 0.32

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
SCHEMBL24120378 0.90 MGLL (0.34) MGLLRBP4
SCHEMBL21344730 0.86 ACACA (0.31)
SCHEMBL22992138 0.85 CHRM2 (0.40) CYP1A2USP2CYP2D6TSHRCYP3A4
SCHEMBL22908438 0.85 CYP3A4 (0.35) MGLLRBP4USP2CYP2D6TSHR
SCHEMBL21344281 0.85 DPP4 (0.38) USP2CYP3A4
SCHEMBL22992155 0.83 CYP3A4 (0.44) CYP1A2USP2CYP2D6TSHRCYP3A4
SCHEMBL22992053 0.83 CHRNA4 (0.36) MGLLCYP1A2USP2CYP2D6TSHR
SCHEMBL21344253 0.83 GAA (0.41) MAPK1SMN1; SMN2
SCHEMBL21344687 0.82 ALDH1A1 (0.38) MEN1KMT2A
SCHEMBL22992040 0.82 CYP3A4 (0.47) CYP1A2USP2CYP2D6TSHRCYP3A4

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 MGLL 548/4885RBP4 3356/4885CYP1A2 14/4885
US-12043599-B2 Herbicidal compounds DDT, CBR3, GLRX3 MGLL 548/4885RBP4 3356/4885CYP1A2 14/4885

“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.