SCHEMBL21343718

SCHEMBL21343718

CC#Cc1cc(C)c(C2C(=O)CC3(CCN(C(=O)C4CCCOC4)CC3)CC2=O)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.37
EPHX2 P34913 5/20 0.35
FASN P49327 3/20 0.33
PIK3CD O00329 2/20 0.32
PIK3CA P42336 2/20 0.32
BRD4 O60885 1/20 0.32
NAMPT P43490 1/20 0.31
GRM5 P41594 1/20 0.31
MGLL Q99685 2/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 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
SCHEMBL22992243 1.00 CNR2 (0.37) CNR2EPHX2FASNPIK3CDPIK3CA
SCHEMBL21343721 0.94 EPHX2 (0.38) CNR2EPHX2FASNPIK3CANAMPT
SCHEMBL21344743 0.91 MGLL (0.33) MGLL
SCHEMBL22992014 0.90 BRD4 (0.37) PIK3CABRD4GRM5MGLLALDH1A1
SCHEMBL22992046 0.89 EPHX2 (0.36) CNR2EPHX2NAMPTMGLLALDH1A1
SCHEMBL21332010 0.88 ALDH1A1 (0.34) BRD4MGLLALDH1A1POLBKMT2A
SCHEMBL21344275 0.86 ALDH1A1 (0.43) ALDH1A1POLBKMT2A
SCHEMBL21344280 0.85 NAMPT (0.33) PIK3CDPIK3CANAMPTALDH1A1
SCHEMBL21343901 0.85 NAMPT (0.33) PIK3CDPIK3CANAMPTALDH1A1
SCHEMBL22992242 0.85 NAMPT (0.33) PIK3CDPIK3CANAMPTALDH1A1

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 5 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
WO-2019170745-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2019-09-12 WO 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 CNR2 1256/4885EPHX2 63/4885FASN 741/4885
US-12043599-B2 Herbicidal compounds DDT, CBR3, GLRX3 CNR2 1256/4885EPHX2 63/4885FASN 741/4885

“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.