SCHEMBL8966908

SCHEMBL8966908

NCCOc1ccc(Oc2cccc(Cl)c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.66
PLA2G2A P14555 1/20 0.66
TAAR1 Q96RJ0 1/20 0.53
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
MAOB P27338 3/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SCN5A Q14524 1/20 0.46
SCN9A Q15858 1/20 0.46
WDR5 P61964 1/20 0.45
KCNH2 Q12809 1/20 0.44
KMT2A Q03164 1/20 0.44
FFAR1 O14842 1/20 0.44
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44

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
SCHEMBL3167075 0.88 LMNA (0.59) LTA4HPLA2G2ATAAR1DRD2DRD4
SCHEMBL8958910 0.84 LTA4H (0.46) LTA4HPLA2G2AMAOBLMNAMAPK1
SCHEMBL10876902 0.83 ALDH1A1 (0.53) LTA4HPLA2G2ADRD2DRD4LMNA
SCHEMBL10715309 0.82 MAPT (0.54) LTA4HMAOBSMN1; SMN2SCN5ASCN9A
SCHEMBL507152 0.81 ST14 (0.62) TAAR1MAOBSMN1; SMN2SCN5ASCN9A
Hydrochloric Acid SCHEMBL11429261 0.80 LTA4H (0.66) LTA4HPLA2G2ATAAR1MAOBLMNA
SCHEMBL9511199 0.80 LTA4H (0.66) LTA4HPLA2G2ATAAR1MAOBSMN1; SMN2
SCHEMBL1048214 0.80 MAOB (0.61) TAAR1MAOBSMN1; SMN2KMT2A
SCHEMBL9488010 0.80 LTA4H (0.66) LTA4HPLA2G2ATAAR1DRD2DRD4
SCHEMBL4653229 0.80 LTA4H (1.00) LTA4HPLA2G2ATAAR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0404720-B1 Pesticidal agent CIBA GEIGY AG (CH) 1996-02-28 EP claimed
US-20100113513-A1 QUINOLINE DERIVATIVES AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-05-06 US disclosed
US-20100113513-A1 QUINOLINE DERIVATIVES AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-05-06 US disclosed
WO-2008110355-A1 QUINOLINE DERIVATIVES AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-09-18 WO disclosed
US-5141956-A Agricultural insecticides CIBA-GEIGY CORPORATION (US) 1992-08-25 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-20100113513-A1 QUINOLINE DERIVATIVES AS FUNGICIDES CYP1A1, CYP4X1, CYP3A7 LTA4H 2656/4885PLA2G2A 3789/4885TAAR1 1351/4885

“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.