SCHEMBL21343732

SCHEMBL21343732

CC#Cc1cc(C)c(C2C(=O)CC3(CCN(C(=O)c4ccccc4I)CC3)CC2=O)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.35
MGLL Q99685 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MMP2 P08253 3/20 0.33
MMP13 P45452 3/20 0.33
MMP14 P50281 3/20 0.33
ADAM17 P78536 3/20 0.33
HTT P42858 1/20 0.33
MMP1 P03956 1/20 0.33
MMP9 P14780 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM3 P20309 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ACACA Q13085 1/20 0.33
FASN P49327 1/20 0.33
CCR5 P51681 1/20 0.32
CCR8 P51685 1/20 0.32
KCNH2 Q12809 1/20 0.32
CYP46A1 Q9Y6A2 1/20 0.31

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
SCHEMBL24426554 0.91 ALDH1A1 (0.43) MGLLALDH1A1MMP2MMP13MMP14
SCHEMBL22992174 0.89 HTT (0.41) ALDH1A1HTTMAPTCYP2C9CYP2C19
SCHEMBL21344670 0.86 CHRM2 (0.42) ALDH1A1HTTCHRM2CHRM3SMN1; SMN2
SCHEMBL21344636 0.82 L3MBTL1 (0.44) ALDH1A1SMN1; SMN2CCR8KCNH2CYP2C9
SCHEMBL21344679 0.82 NAMPT (0.42) CYP46A1CYP2C9
SCHEMBL22992145 0.82 GAA (0.33) HTT
SCHEMBL21274089 0.82 BTK (0.30)
SCHEMBL21274392 0.82 USP2 (0.35) ALDH1A1SMN1; SMN2CYP2C9CYP2C19
SCHEMBL22992155 0.82 CYP3A4 (0.44) ALDH1A1SMN1; SMN2CYP2C9CYP2C19
SCHEMBL22992138 0.82 CHRM2 (0.40) ALDH1A1CHRM2SMN1; SMN2CYP2C9CYP2C19

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 FAAH 750/4885MGLL 548/4885ALDH1A1 57/4885
US-12043599-B2 Herbicidal compounds DDT, CBR3, GLRX3 FAAH 750/4885MGLL 548/4885ALDH1A1 57/4885

“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.