SCHEMBL6800543

SCHEMBL6800543

CC1Cc2cc(C(=O)C3C(=O)CCCC3=O)ccc2S1(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.32
GRM1 Q13255 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 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
SCHEMBL6773373 0.72 HPD (0.34)
SCHEMBL6774329 0.70 HPD (0.33) MAPK1
SCHEMBL6751009 0.67 HDAC1 (0.37) ALDH1A1GRM1MAPT
SCHEMBL15133256 0.64 TPMT (0.43) MAPK1
SCHEMBL169913 0.63 MCL1 (0.65) ALDH1A1MAPT
SCHEMBL24845086 0.62 KMT2A (0.48)
SCHEMBL8060822 0.61 HTR2B (0.46)
SCHEMBL6751236 0.61 HPD (0.33)
SCHEMBL6749195 0.61 HPD (0.33)
SCHEMBL6751011 0.60 HPD (0.33)

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-20040002425-A1 Triketone derivatives and herbicides IDEMITSU KOSAN CO., LTD. (JP) 2004-01-01 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-20040002425-A1 Triketone derivatives and herbicides SYMPK, STK36, STK32A ALDH1A1 1115/4885MAPK1 1583/4885GRM1 3058/4885

“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.