SCHEMBL21343897

SCHEMBL21343897

CC#Cc1cc(C)c(C2C(=O)CC3(CCN(C(=O)NC(=O)c4ccc(OC)cn4)CC3)CC2=O)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
BACE1 P56817 6/20 0.34
BACE2 Q9Y5Z0 5/20 0.33
CYP2D6 P10635 3/20 0.33
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GPR6 P46095 1/20 0.33
DRD3 P35462 1/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.33
GHSR Q92847 1/20 0.33
ALDH1A1 P00352 3/20 0.33
CYP3A4 P08684 3/20 0.33
USP2 O75604 2/20 0.33
MAPK1 P28482 2/20 0.33
GPR119 Q8TDV5 1/20 0.33
POLB P06746 1/20 0.33
BTK Q06187 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
SCHEMBL21344680 0.90 NAMPT (0.35) BACE1BACE2GPR6DRD3
SCHEMBL21344694 0.90 BACE1 (0.33) CYP2C9CYP2C19BACE1BACE2ALDH1A1
SCHEMBL21343892 0.89 DRD3 (0.43) CYP1A2CYP2C9CYP2C19CYP2D6TSHR
SCHEMBL21344691 0.89 CYP1A2 (0.35) CYP1A2CYP2C9CYP2C19CYP2D6TSHR
SCHEMBL22992248 0.89 IRAK4 (0.35) BACE1BACE2GPR6
SCHEMBL21344698 0.88 BACE1 (0.36) BACE1BACE2
SCHEMBL22992072 0.87 TRPV1 (0.36) BACE1BACE2
SCHEMBL22942059 0.85 RAB9A (0.35) CYP2C19CYP2D6TSHRSMN1; SMN2ALDH1A1
SCHEMBL22992067 0.84 GRM4 (0.38) CYP2C19CYP2D6TSHRSMN1; SMN2ALDH1A1
SCHEMBL21344693 0.82 ALDH1A1 (0.32) CYP1A2CYP2C19CYP2D6TSHRALDH1A1

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
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 CYP1A2 14/4885CYP2C9 73/4885CYP2C19 286/4885
US-12043599-B2 Herbicidal compounds DDT, CBR3, GLRX3 CYP1A2 14/4885CYP2C9 73/4885CYP2C19 286/4885

“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.