SCHEMBL4543608

SCHEMBL4543608

Oc1cc[c]c(-c2cccc(O)n2)n1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MMP2 P08253 1/20 0.31
CHRM1 P11229 1/20 0.31
TSHR P16473 1/20 0.31
COMT P21964 1/20 0.31
ADRA1A P35348 1/20 0.31
METAP2 P50579 1/20 0.31
METAP1 P53582 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
ACHE P22303 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
SCHEMBL1074467 0.75 ALDH1A1 (0.46) ALDH1A1POLBMAPTHPGDHSD17B10
SCHEMBL8515342 0.73 ALDH1A1 (0.50) ALDH1A1POLBMAPTHPGDHSD17B10
SCHEMBL29992115 0.73 ALDH1A1 (0.44) ALDH1A1POLBMAPTHPGDHSD17B10
SCHEMBL11183576 0.68 RPS6KB2 (0.42) ALDH1A1POLBMAPTHPGDHSD17B10
SCHEMBL15747899 0.67 TP53 (0.41) ALDH1A1POLBMAPTHPGDHSD17B10
SCHEMBL128525 0.67
SCHEMBL9776373 0.66
SCHEMBL1028576 0.66 MEN1 (0.68) ALDH1A1POLBMAPTHPGDHSD17B10
Hydrochloric Acid SCHEMBL3020906 0.64
Methane SCHEMBL7257614 0.64

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-8962628-B2 Herbicidal 5H-quinoxaline-6-one derivatives detailed description SYNGENTA LIMITED (GB) 2015-02-24 US disclosed
US-20130303370-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2013-11-14 US disclosed
EP-2638019-A1 HERBICIDAL COMPOUNDS Syngenta Limited (GB) 2013-09-18 EP disclosed
WO-2012062531-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2012-05-18 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-20130303370-A1 HERBICIDAL COMPOUNDS DDT, CYP4X1, CYP1B1 ALDH1A1 39/4885POLB 4410/4885MAPT 4694/4885

“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.