SCHEMBL22992155

SCHEMBL22992155

CC#Cc1cc(C)c(C2C(=O)CC3(CCN(C(=O)c4ccncc4)CC3)CC2=O)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 11/20 0.44
CYP2D6 P10635 12/20 0.43
CYP2C9 P11712 8/20 0.43
HSD17B10 Q99714 4/20 0.43
TSHR P16473 4/20 0.43
USP2 O75604 2/20 0.43
CYP2C19 P33261 6/20 0.43
ALDH1A1 P00352 4/20 0.43
CYP1A2 P05177 5/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HIF1A Q16665 1/20 0.42
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.40

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
SCHEMBL21344670 0.91 CHRM2 (0.42) CYP3A4CYP2C9USP2CYP2C19ALDH1A1
SCHEMBL21344669 0.90 CHRM2 (0.45) ALDH1A1MAPK1
SCHEMBL22992057 0.89 ACACA (0.38) CYP3A4CYP2D6CYP2C9HSD17B10TSHR
SCHEMBL21344672 0.89 VNN1 (0.36) CYP3A4
SCHEMBL22992179 0.89 CYP3A4 (0.39) CYP3A4CYP2D6CYP2C9HSD17B10TSHR
SCHEMBL21344679 0.89 NAMPT (0.42) CYP2D6CYP2C9HSD17B10TSHRUSP2
SCHEMBL22992214 0.88 CCR8 (0.42) CYP3A4CYP2D6CYP2C9HSD17B10TSHR
SCHEMBL21343895 0.88 CYP2C9 (0.37) CYP3A4CYP2D6CYP2C9HSD17B10TSHR
SCHEMBL21344846 0.87 CYP3A4 (0.38) CYP3A4CYP2D6CYP2C9TSHRUSP2
SCHEMBL22992138 0.86 CHRM2 (0.40) CYP3A4CYP2D6CYP2C9HSD17B10TSHR

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 CYP3A4 245/4885CYP2D6 120/4885CYP2C9 73/4885
US-12043599-B2 Herbicidal compounds DDT, CBR3, GLRX3 CYP3A4 245/4885CYP2D6 120/4885CYP2C9 73/4885

“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.