SCHEMBL21361294

SCHEMBL21361294

Cc1cc(-c2ccc(C#N)cn2)cc(C)c1C1C(=O)CC2(CCN(C(=O)NC(=O)C(C)(C)C)CC2)CC1=O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 2/20 0.35
FASN P49327 7/20 0.34
HIF1A Q16665 1/20 0.33
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
CNR2 P34972 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
HSD11B1 P28845 1/20 0.33
FGFR4 P22455 1/20 0.33
ACACA Q13085 1/20 0.33
P2RX7 Q99572 1/20 0.33
CYP1A2 P05177 1/20 0.33
TSHR P16473 1/20 0.33
CYP2D6 P10635 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL24120338 0.93 PDK1 (0.34) PANK3FASNPDK1PDK2CNR2
SCHEMBL21361290 0.90 CSNK1E (0.39) PANK3FASNHIF1APDK1PDK2
SCHEMBL21361287 0.89 IRAK4 (0.37) FASNPDK1PDK2CNR2CYP3A4
SCHEMBL24120137 0.87 KIT (0.34) FASNPDK1PDK2HSD11B1FGFR4
SCHEMBL21361283 0.86 CYP1A2 (0.41) FASNHIF1ACYP2C9ACACACYP1A2
SCHEMBL21361295 0.85 GPR6 (0.37) HIF1ACYP3A4CYP2C9P2RX7CYP1A2
SCHEMBL24324810 0.85 ACACA (0.35) FASNCNR2CYP2C9ACACAP2RX7
SCHEMBL21361291 0.85 FASN (0.37) FASNACACA
SCHEMBL24324819 0.84 FASN (0.35) FASNCNR2FGFR4ACACAP2RX7
SCHEMBL21361223 0.83 JAK2 (0.37) FASNCNR2P2RX7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3765445-B1 SPIRO CYCLOHEXANEDIONE DERIVATES AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2023-08-30 EP disclosed
US-20210000113-A1 SPIRO CYCLOHEXANEDIONE DERIVATES AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2021-01-07 US disclosed
WO-2019175117-A1 SPIRO CYCLOHEXANEDIONE DERIVATES AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2019-09-19 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 (1 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-20210000113-A1 SPIRO CYCLOHEXANEDIONE DERIVATES AS HERBICIDES CBR3, DDT, CBR1 PANK3 2125/4885FASN 1005/4885HIF1A 1314/4885

“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.