SCHEMBL21343722

SCHEMBL21343722

CC#Cc1cc(C)c(C2C(=O)CC3(CCN(C(=O)c4ccc(OC)nn4)CC3)CC2=O)c(C)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.34
USP2 O75604 2/20 0.34
CYP2D6 P10635 2/20 0.34
NNMT P40261 1/20 0.33
CYP1A2 P05177 1/20 0.33
TSHR P16473 1/20 0.33
GABRA1 P14867 1/20 0.32
GPR183 P32249 1/20 0.32
ACACA Q13085 3/20 0.31
ACACB O00763 1/20 0.31
ABCB11 O95342 1/20 0.31
ABCC1 P33527 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
SLCO1B1 Q9Y6L6 1/20 0.31
TRPC6 Q9Y210 2/20 0.31
GRM3 Q14832 1/20 0.31
CCR8 P51685 1/20 0.30
KCNH2 Q12809 1/20 0.30
SCD O00767 1/20 0.30
SCD5 Q86SK9 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
SCHEMBL24120373 0.91 NNMT (0.34) NNMTGABRA1SCDSCD5
SCHEMBL22908445 0.88 CYP3A4 (0.34) CYP3A4USP2CYP2D6NNMTCYP1A2
SCHEMBL21344262 0.88 KCNK3 (0.36) CYP3A4USP2CYP2D6ACACAACACB
SCHEMBL24120355 0.87 NNMT (0.33) NNMTGABRA1SCDSCD5
SCHEMBL21343892 0.86 DRD3 (0.43) CYP3A4USP2CYP2D6CYP1A2TSHR
SCHEMBL22992070 0.86 CYP3A4 (0.33) CYP3A4USP2CYP2D6CYP1A2TSHR
SCHEMBL22992042 0.85 NAMPT (0.37) CYP3A4CYP2D6CYP1A2TSHRACACA
SCHEMBL21344681 0.84 CYP1A2 (0.38) CYP3A4USP2CYP2D6CYP1A2TSHR
SCHEMBL21344729 0.84 ACACA (0.33) GABRA1ACACAACACB
SCHEMBL21344269 0.84 TSHR (0.47) CYP3A4USP2CYP2D6CYP1A2TSHR

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 CYP3A4 245/4885USP2 2071/4885CYP2D6 120/4885
US-12043599-B2 Herbicidal compounds DDT, CBR3, GLRX3 CYP3A4 245/4885USP2 2071/4885CYP2D6 120/4885

“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.