SCHEMBL1149036

SCHEMBL1149036

Nc1ccc(Oc2ccc(OC(F)(F)F)cc2)c(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
GLA P06280 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
SLC6A4 P31645 6/20 0.41
SLC6A2 P23975 5/20 0.41
SLC6A3 Q01959 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
RAB9A P51151 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
ATM Q13315 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK10 P53779 1/20 0.38
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL649657 0.92 TSHR (0.53) TSHRGLAPOLBGAAL3MBTL1
SCHEMBL29352455 0.92 TSHR (0.53) TSHRGLAPOLBGAAL3MBTL1
SCHEMBL1352801 0.90 TSHR (0.52) TSHRGLAPOLBGAAL3MBTL1
SCHEMBL29448858 0.90 TSHR (0.52) TSHRGLAPOLBGAAL3MBTL1
SCHEMBL7187793 0.90 TSHR (0.52) TSHRGLAPOLBGAAL3MBTL1
SCHEMBL9680721 0.87 TSHR (0.48) TSHRGLAPOLBGAAL3MBTL1
SCHEMBL651384 0.87 TSHR (0.48) TSHRGLAPOLBGAAL3MBTL1
SCHEMBL5583856 0.85 L3MBTL1 (0.53) TSHRGLAPOLBGAASLC6A4
SCHEMBL2791640 0.85 TSHR (0.47) TSHRGLAPOLBGAAL3MBTL1
SCHEMBL8139607 0.85 GAA (0.50) TSHRGLAPOLBGAASLC6A4

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
EP-1780202-B1 QUINOLINE DERIVATIVE AND INSECTICIDE CONTAINING SAME AS ACTIVE CONSTITUENT MEIJI SEIKA PHARMA CO LTD (JP) 2013-02-27 EP disclosed
US-7880006-B2 4-Acetoxy-5-chloro-6-(4-chlorophenoxy)-2,3-dimethyl-quinoline, used as agricultural and horticultural insecticides MEIJI SEIKA KAISHA, LTD. (JP) 2011-02-01 US disclosed
US-20070203181-A1 Quinoline Derivatives And Insecticide Comprising Thereof As Active Ingredient MEIJI SEIKA KAISHA, LTD. (JP) 2007-08-30 US disclosed
EP-1780202-A1 QUINOLINE DERIVATIVE AND INSECTICIDE CONTAINING SAME AS ACTIVE CONSTITUENT MEIJI SEIKA KAISHA LTD. (JP) 2007-05-02 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-20070203181-A1 Quinoline Derivatives And Insecticide Comprising Thereof As Active Ingredient DDT, ACHE, NQO1 TSHR 4609/4885GLA 2595/4885POLB 4471/4885

“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.