SCHEMBL21344679

SCHEMBL21344679

CC#Cc1cc(C)c(C2C(=O)CC3(CCN(C(=O)c4cnccc4C)CC3)CC2=O)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.42
CYP11B1 P15538 7/20 0.41
CYP11B2 P19099 7/20 0.41
CYP46A1 Q9Y6A2 2/20 0.36
SIRT3 Q9NTG7 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
USP2 O75604 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SMYD3 Q9H7B4 1/20 0.33

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
SCHEMBL21344266 0.91 TSHR (0.37) NAMPTCYP11B1CYP11B2CYP46A1CYP2D6
SCHEMBL21344849 0.91 TSHR (0.37) NAMPTCYP11B1CYP11B2CYP2D6CYP2C9
SCHEMBL22992144 0.90 CYP11B1 (0.37) NAMPTCYP11B1CYP11B2CYP46A1CYP2D6
SCHEMBL22992155 0.89 CYP3A4 (0.44) USP2CYP2D6CYP2C9TSHRHSD17B10
SCHEMBL24426554 0.87 ALDH1A1 (0.43) CYP2C9
SCHEMBL21344669 0.86 CHRM2 (0.45) NAMPTTDP1
SCHEMBL22992040 0.85 CYP3A4 (0.47) USP2CYP2D6CYP2C9TSHRHSD17B10
SCHEMBL22992214 0.84 CCR8 (0.42) NAMPTUSP2CYP2D6CYP2C9TSHR
SCHEMBL22992057 0.84 ACACA (0.38) NAMPTUSP2CYP2D6CYP2C9TSHR
SCHEMBL21344672 0.84 VNN1 (0.36)

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 NAMPT 3453/4885CYP11B1 591/4885CYP11B2 866/4885
US-12043599-B2 Herbicidal compounds DDT, CBR3, GLRX3 NAMPT 3453/4885CYP11B1 591/4885CYP11B2 866/4885

“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.