SCHEMBL6772585

SCHEMBL6772585

COc1c(C(=O)O)ccc2c1CCS2(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
MAPT P10636 1/20 0.41
RYR2 Q92736 1/20 0.36
HSD17B10 Q99714 3/20 0.34
ALDH1A1 P00352 3/20 0.34
POLB P06746 1/20 0.34
CDC25B P30305 1/20 0.33
KDM4E B2RXH2 2/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
VEGFA P15692 1/20 0.32
HPGD P15428 1/20 0.31
TPMT P51580 1/20 0.31
HTT P42858 1/20 0.31
APEX1 P27695 1/20 0.31
CPT2 P23786 1/20 0.31
CPT1A P50416 1/20 0.31
CPT1B Q92523 1/20 0.31
PKM P14618 1/20 0.31
AKR1C3 P42330 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
SCHEMBL6773775 0.80 HPD (0.34)
SCHEMBL6895329 0.80 HAAO (0.35) POLBCYP1A2
SCHEMBL6752193 0.78 TSHR (0.39) ALDH1A1POLBKDM4EVEGFACYP1A2
SCHEMBL6773040 0.77 MCL1 (0.33) RYR2PKMCYP1A2
SCHEMBL6772652 0.76 VEGFA (0.41) VEGFACYP1A2
SCHEMBL26655038 0.76 VEGFA (0.39) RYR2KDM4EVEGFACYP1A2
SCHEMBL6770650 0.74 TDP1 (0.39) TDP1MAPTHSD17B10ALDH1A1POLB
SCHEMBL6771292 0.73 VEGFA (0.44) HSD17B10ALDH1A1KDM4EVEGFACYP1A2
SCHEMBL7510686 0.72 LMNA (0.39) TDP1MAPTHSD17B10ALDH1A1POLB
SCHEMBL1505827 0.72 TDP1 (0.61) TDP1MAPTHSD17B10ALDH1A1POLB

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
US-6756343-B1 CONTROLLING RICE PADDY FIELD WEEDS AT LOW DOSAGE DOSE; PLANT SAFENING IDEMITSU KOSAN CO., LTD. (JP) 2004-06-29 US disclosed
US-20040002425-A1 Triketone derivatives and herbicides IDEMITSU KOSAN CO., LTD. (JP) 2004-01-01 US disclosed
EP-1120413-A1 TRIKETONE DERIVATIVE AND HERBICIDE IDEMITSU KOSAN COMPANY LIMITED (JP) 2001-08-01 EP 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 TDP1 2228/4885MAPT 2107/4885RYR2 2882/4885

“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.