SCHEMBL17865386

SCHEMBL17865386

CCOC(=O)c1ccc(CCOc2ccc3c(c2)OC(F)(F)O3)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAPT P10636 5/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAOB P27338 1/20 0.42
PPARG P37231 2/20 0.41
MEN1 O00255 3/20 0.40
LMNA P02545 3/20 0.40
KMT2A Q03164 3/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
POLB P06746 1/20 0.40
CTNNB1 P35222 1/20 0.39
WNT3A P56704 1/20 0.39

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
SCHEMBL17865380 0.85 MRGPRX4 (0.62) MRGPRX4MAOBCTNNB1WNT3A
SCHEMBL29214587 0.80 CTNNB1 (0.54) L3MBTL1MAPTNPC1RAB9AMEN1
SCHEMBL4317518 0.74 TDP1 (0.60) L3MBTL1TDP1MAPTNPC1RAB9A
SCHEMBL24440658 0.73 MRGPRX4 (0.50) MRGPRX4TDP1MAPTNPC1MEN1
SCHEMBL7365104 0.71 ESR1 (0.56) TDP1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL20346363 0.71 SMN1; SMN2 (0.43) MRGPRX4L3MBTL1MAPTNPC1RAB9A
SCHEMBL6701399 0.70 TDP1 (0.74) L3MBTL1TDP1MAPTRAB9AMEN1
SCHEMBL12199135 0.70 CA1 (0.68) L3MBTL1TDP1MAPTNPC1RAB9A
SCHEMBL28664343 0.69 CYP4Z1 (0.45) MRGPRX4TDP1SMN1; SMN2CTNNB1WNT3A
SCHEMBL13516290 0.69 CTNNB1 (0.56) MRGPRX4NPC1RAB9ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10299475-B2 Pesticide ISHIHARA SANGYO KAISHA, LTD. (JP) 2019-05-28 US disclosed
US-20160192651-A1 PESTICIDE ISHIHARA SANGYO KAISHA, LTD. (JP) 2016-07-07 US disclosed
EP-3037408-A1 HARMFUL ORGANISM CONTROL AGENT Ishihara Sangyo Kaisha, Ltd. (JP) 2016-06-29 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 (2 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-10299475-B2 Pesticide DDT, ACHE, KCNH1 MRGPRX4 820/4885L3MBTL1 175/4885TDP1 4350/4885
US-20160192651-A1 PESTICIDE DDT, ACHE, KCNH1 MRGPRX4 820/4885L3MBTL1 175/4885TDP1 4350/4885

“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.