SCHEMBL17865393

SCHEMBL17865393

O=C(O)c1ccc(CCOc2cccc(OC(F)(F)F)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.51
RXRA P19793 2/20 0.50
RXRB P28702 2/20 0.50
RXRG P48443 2/20 0.50
FFAR1 O14842 2/20 0.50
BCL2 P10415 1/20 0.49
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NR4A2 P43354 1/20 0.48
PTGER4 P35408 1/20 0.48
PTGER2 P43116 1/20 0.48
PKM P14618 1/20 0.48
SLC13A5 Q86YT5 1/20 0.46
MAPK14 Q16539 1/20 0.46
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
ACP1 P24666 1/20 0.46
KMT2A Q03164 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
PPARG P37231 1/20 0.45

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
SCHEMBL17865389 0.87 MRGPRX4 (0.53) MRGPRX4FFAR1SMN1; SMN2MAPK14PPARG
SCHEMBL17865400 0.84 PPARG (0.44) FFAR1BCL2PTGER4PTGER2SLC13A5
SCHEMBL14966900 0.82 NR4A2 (0.58) MRGPRX4RXRARXRBRXRGFFAR1
SCHEMBL17865399 0.81 PPARG (0.46) MRGPRX4FFAR1SLC13A5MAPK14NR1H4
SCHEMBL17865391 0.81 MAOB (0.47) FFAR1TSHRSLC13A5
SCHEMBL17865384 0.81 ROCK2 (0.49) MAPK14KMT2ANR1H4
SCHEMBL5390756 0.80 PKM (0.73) FFAR1BCL2TSHRNR4A2PKM
SCHEMBL365586 0.80 MAPK14 (0.55) MRGPRX4RXRARXRBRXRGFFAR1
SCHEMBL14966807 0.80 MRGPRX4 (0.60) MRGPRX4RXRARXRBRXRGFFAR1
SCHEMBL14967541 0.80 TDP1 (0.56) RXRARXRBRXRGBCL2TSHR

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 820/4885RXRA 460/4885RXRB 398/4885
US-20160192651-A1 PESTICIDE DDT, ACHE, KCNH1 MRGPRX4 820/4885RXRA 460/4885RXRB 398/4885

“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.