SCHEMBL22992125

SCHEMBL22992125

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

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.33
HSD17B10 Q99714 1/20 0.33
GRM5 P41594 1/20 0.33
TSHR P16473 3/20 0.32
CYP2C19 P33261 2/20 0.32
MAPK1 P28482 3/20 0.32
CYP1A2 P05177 4/20 0.31
HIF1A Q16665 1/20 0.30
KCNT1 Q5JUK3 1/20 0.30
ALDH1A1 P00352 3/20 0.30
USP2 O75604 2/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
POLB P06746 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
SCHEMBL21344757 0.90 L3MBTL1 (0.31) CYP2D6HSD17B10GRM5MAPK1
SCHEMBL24325242 0.90 GRM5 (0.32) GRM5
SCHEMBL22992095 0.89 PIK3CA (0.34) CYP2D6HSD17B10GRM5HIF1APOLB
SCHEMBL22992227 0.89 GRM5 (0.42) CYP2D6HSD17B10GRM5TSHRCYP2C19
SCHEMBL21344864 0.89 CYP3A4 (0.32) CYP2D6HSD17B10CYP1A2USP2CYP3A4
SCHEMBL22992166 0.89 EPHX2 (0.36) USP2
SCHEMBL24325229 0.88 GRM5 (0.33) GRM5
SCHEMBL21344248 0.88 HIF1A (0.32) HIF1A
SCHEMBL22992196 0.87 RAB9A (0.38) ALDH1A1USP2SMN1; SMN2
SCHEMBL21344271 0.87

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
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 CYP2D6 120/4885HSD17B10 214/4885GRM5 1037/4885
US-12043599-B2 Herbicidal compounds DDT, CBR3, GLRX3 CYP2D6 120/4885HSD17B10 214/4885GRM5 1037/4885

“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.