SCHEMBL9511199

SCHEMBL9511199

NCCOc1ccc(Oc2cccc(F)c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.66
PLA2G2A P14555 1/20 0.66
TAAR1 Q96RJ0 1/20 0.53
FFAR1 O14842 3/20 0.52
FFAR4 Q5NUL3 3/20 0.52
MAOB P27338 5/20 0.48
PARP1 P09874 1/20 0.46
MMP2 P08253 1/20 0.44
MMP3 P08254 1/20 0.44
MMP9 P14780 1/20 0.44
MMP14 P50281 1/20 0.44
MEN1 O00255 1/20 0.43
MITF O75030 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
GFER P55789 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NLRP1 Q9C000 1/20 0.43

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
SCHEMBL9502838 0.92 LTA4H (0.54) LTA4HPLA2G2ATAAR1FFAR1FFAR4
SCHEMBL9869869 0.88 FFAR1 (0.53) LTA4HPLA2G2AFFAR1FFAR4MAOB
SCHEMBL1239738 0.88 TAAR1 (0.57) LTA4HPLA2G2ATAAR1MAOB
Hydrochloric Acid SCHEMBL1623693 0.86 TAAR1 (0.55) LTA4HPLA2G2ATAAR1MAOB
SCHEMBL9713896 0.83 FFAR4 (0.59) LTA4HPLA2G2AFFAR1FFAR4MMP2
SCHEMBL8959126 0.82 PPARA (0.48) LTA4HPLA2G2AFFAR1FFAR4SMN1; SMN2
SCHEMBL9633819 0.82 LTA4H (0.68) LTA4HPLA2G2ATAAR1MAOB
SCHEMBL6290496 0.82 ALDH1A1 (0.54) LTA4HFFAR1FFAR4MAOBMMP2
SCHEMBL6289347 0.82 ALDH1A1 (0.54) LTA4HFFAR1FFAR4MAOBMMP2
SCHEMBL506288 0.81 ST14 (0.62) TAAR1MAOBMMP2MMP3MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0412391-B1 CYCLOPROPANE THIOCARBOXYLIC ACID AMIDES BASF Aktiengesellschaft (DE) 1993-09-29 EP disclosed
US-5132326-A Insecticides which interfere with hormonal activity BASF AKTIENGESELLSCHAFT (DE) 1992-07-21 US disclosed
EP-0412391-A1 Cyclopropane thiocarboxylic acid amides BASF Aktiengesellschaft (DE) 1991-02-13 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-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.