SCHEMBL468928

SCHEMBL468928

Cc1cc(C)c(/C2=C(\O)C[C@H]3CC[C@H](CC3)CC2=O)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
KCNQ4 P56696 1/20 0.33
KCNQ5 Q9NR82 1/20 0.33
TSHR P16473 1/20 0.32
NR2F2 P24468 1/20 0.31
TAS1R3 Q7RTX0 4/20 0.31
TAS1R1 Q7RTX1 4/20 0.31
TAS1R2 Q8TE23 4/20 0.31
HTR2A P28223 3/20 0.31
HTR2C P28335 3/20 0.31
HTR2B P41595 3/20 0.31
MAOA P21397 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
SCHEMBL13261919 0.90 ELAVL1 (0.36) HTR2BMAOA
SCHEMBL10244065 0.83 MAOA (0.33) MAOA
SCHEMBL468926 0.81 TSHR (0.31) TSHRNR2F2
SCHEMBL468932 0.79
SCHEMBL11207769 0.78 TSHR (0.33) TSHRNR2F2
SCHEMBL12134138 0.77 RORC (0.33) TSHR
SCHEMBL12134165 0.77 NR2F2 (0.30) NR2F2
SCHEMBL12134158 0.76 RORC (0.30) TSHR
SCHEMBL12134164 0.76 KMT2A (0.32)
SCHEMBL468885 0.75 MAOA (0.30) MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065066-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-03-15 US 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-20120065066-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 KCNQ3 2522/4885KCNQ2 1921/4885KCNQ4 2402/4885

“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.