SCHEMBL7200546

SCHEMBL7200546

C#CC(O)c1ccc(OC(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.41
GFER P55789 1/20 0.41
ADAM17 P78536 1/20 0.41
DRD1 P21728 1/20 0.38
ALDH1A1 P00352 6/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
ATM Q13315 2/20 0.37
PKM P14618 2/20 0.37
LMNA P02545 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
CCR6 P51684 1/20 0.37
MAPK1 P28482 1/20 0.34
TSHR P16473 1/20 0.34
MDM2 Q00987 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33

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
SCHEMBL10921779 0.79 DRD1 (0.39) DRD1MEN1KMT2AATMLMNA
SCHEMBL29184903 0.78 ESR1 (0.46) TSHR
SCHEMBL6168264 0.76 CA1 (0.46) ALDH1A1MAPK1TSHRL3MBTL1MAPT
SCHEMBL7205487 0.76 PDE2A (0.42) ALOX15ALDH1A1MEN1KMT2ALMNA
SCHEMBL11491256 0.76 SCN9A (0.38) ALDH1A1MEN1KMT2ALMNAL3MBTL1
SCHEMBL13859437 0.74 ALOX15 (0.44) ALOX15GFERADAM17DRD1ALDH1A1
SCHEMBL18290854 0.74 KMT2A (0.45) ALOX15GFERADAM17DRD1ALDH1A1
SCHEMBL19416608 0.74 ALOX15 (0.44) ALOX15GFERADAM17DRD1ALDH1A1
SCHEMBL11065049 0.73 DRD1 (0.56) ALOX15GFERADAM17DRD1ALDH1A1
SCHEMBL6965069 0.73 SRD5A2 (0.54) TSHR

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
US-6605730-B2 3-(2-Thienyl)-5-phenyl-1H-pyrazole compounds of given formula NIHON BAYER AGROCHEM K.K. (JP) 2003-08-12 US disclosed
US-20030028034-A1 Nematicidal pyrazoles WADA KATSUAKI (JP) 2003-02-06 US disclosed
US-6310049-B1 3-(2-THIENYL),5-(SUBSTITUTED PHENYL)-1H-PYRAZOLES AND 3-(SUBSTITUTED PHENYL),5-(2-THIENYL)-1H-PYRAZOLES OF GIVEN FORMULA; ANTHELMINTICS NIHON BAYER AGROCHEM K.K. (JP) 2001-10-30 US disclosed
EP-1104418-A2 NEMATICIDAL PYRAZOLES NIHON BAYER AGROCHEM K.K. (JP) 2001-06-06 EP disclosed
WO-2000009500-A2 NEMATICIDAL PYRAZOLES NIHON BAYER AGROCHEM K.K. (JP) 2000-02-24 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-20030028034-A1 Nematicidal pyrazoles CBR3, CBR1, CCR4 ALOX15 1095/4885GFER 369/4885ADAM17 4851/4885

“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.