SCHEMBL16019347

SCHEMBL16019347

CC[S+]([O-])c1ccccc1C(C)(C)C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GPR3 P46089 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
SCHEMBL16019348 0.83
SCHEMBL27317152 0.79 IDO1 (0.35) ALDH1A1TDP1
SCHEMBL16019393 0.79 TDP1 (0.35) ALDH1A1TSHRTDP1GPR3
SCHEMBL16019343 0.74 ALDH1A1 (0.32) ALDH1A1TSHRTDP1GPR3
SCHEMBL16019354 0.74 ALDH1A1 (0.32) ALDH1A1TSHRTDP1GPR3
SCHEMBL777552 0.70 ACHE (0.37)
SCHEMBL3882276 0.70 ACHE (0.39) ALDH1A1TSHRTDP1
SCHEMBL7555217 0.70 ALDH1A1 (0.43) ALDH1A1TSHRTDP1
SCHEMBL29832783 0.70 ALDH1A1 (0.43) ALDH1A1TSHRTDP1
SCHEMBL26002448 0.69 ALDH1A1 (0.46) ALDH1A1TSHRTDP1GPR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9693556-B2 Herbicidal pyridazinone derivatives SYNGENTA LIMITED (GB) 2017-07-04 US disclosed
US-9693556-B2 Herbicidal pyridazinone derivatives SYNGENTA LIMITED (GB) 2017-07-04 US disclosed
US-20140256546-A1 HERBICIDAL PYRIDAZINONE DERIVATIVES SYNGENTA LIMITED (GB) 2014-09-11 US disclosed
US-20140256546-A1 HERBICIDAL PYRIDAZINONE DERIVATIVES SYNGENTA LIMITED (GB) 2014-09-11 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-20140256546-A1 HERBICIDAL PYRIDAZINONE DERIVATIVES PRDX6, PRDX1, CBR3 ALDH1A1 861/4885TSHR 391/4885TDP1 3910/4885

“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.