SCHEMBL5080403

SCHEMBL5080403

[O]CCOc1ccc(C(F)(F)F)cn1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 2/20 0.46
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPK1 P28482 1/20 0.46
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 1/20 0.44
LMNA P02545 1/20 0.44
THRB P10828 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
GABRA5 P31644 1/20 0.42
RAB9A P51151 1/20 0.42
LIPE Q05469 2/20 0.41
BCHE P06276 1/20 0.40
RXRA P19793 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 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
SCHEMBL5076062 0.91 MRGPRX4 (0.47) MRGPRX4HPGDKMT2AMAPTNPSR1
SCHEMBL20381743 0.86 HPGD (0.48) MRGPRX4HPGDKMT2AMAPTNPSR1
SCHEMBL5077085 0.84 HPGD (0.49) MRGPRX4HPGDKMT2AMAPTNPSR1
SCHEMBL5079495 0.82 HPGD (0.48) MRGPRX4HPGDKMT2AMAPTNPSR1
SCHEMBL2001524 0.82 HPGD (0.48) MRGPRX4HPGDKMT2AMAPTNPSR1
SCHEMBL831499 0.82 MRGPRX4 (0.48) MRGPRX4HPGDKMT2AMAPTNPSR1
SCHEMBL3159889 0.82 HPGD (0.48) MRGPRX4HPGDKMT2AMAPTNPSR1
SCHEMBL5077087 0.82 HPGD (0.48) MRGPRX4HPGDKMT2AMAPTNPSR1
SCHEMBL13481259 0.82 HPGD (0.55) MRGPRX4HPGDKMT2AMAPTNPSR1
SCHEMBL10274190 0.81 HPGD (0.54) MRGPRX4HPGDKMT2AMAPTNPSR1

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-7435844-B2 Analogous compounds of strobilurines and their use as acaricides and insecticides ISAGRO RICERCA S.R.L. (IT) 2008-10-14 US disclosed
US-20060235075-A1 Analogous compounds of strobilurines and their use as acaricides and insecticides ISAGRO RICERCA S.R.L. (IT) 2006-10-19 US disclosed
EP-1551832-A1 8-AZABICYCLO[3.2.1]OCTANE ETHER DERIVATIVES AND THEIR USE AS NEUROKININ RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 2005-07-13 EP disclosed
EP-1494991-A1 ANALOGOUS COMPOUNDS OF STROBILURINES AND THEIR USE AS ACARICIDES AND INSECTICIDES Isagro Ricerca S.r.l. (IT) 2005-01-12 EP disclosed
WO-2004031185-A1 8-AZABICYCLO[3.2.1]OCTANE ETHER DERIVATIVES AND THEIR USE AS NEUROKININ RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 2004-04-15 WO disclosed
WO-2003087032-A1 ANALOGOUS COMPOUNDS OF STROBILURINES AND THEIR USE AS ACARICIDES AND INSECTICIDES ISAGRO RICERCA S.R.L. (IT) 2003-10-23 WO 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-20060235075-A1 Analogous compounds of strobilurines and their use as acaricides and insecticides DDT, RYR1, TPMT MRGPRX4 989/4885HPGD 3764/4885KMT2A 3499/4885

“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.