SCHEMBL7204275

SCHEMBL7204275

C#CC(O)c1ccc(OCC)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.52
ACACB O00763 8/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
LTA4H P09960 2/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HPGD P15428 1/20 0.42
LMNA P02545 1/20 0.42
PARP10 Q53GL7 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
PLA2G4B P0C869 1/20 0.41

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
SCHEMBL7202465 0.86 LTA4H (0.47) ACACBL3MBTL1LTA4HMEN1KMT2A
SCHEMBL15010950 0.86 LTA4H (0.47) LTA4HTSHRPLA2G4B
SCHEMBL7201248 0.82 FFAR1 (0.36) ACACBL3MBTL1TSHRLMNA
SCHEMBL7202031 0.81 CA12 (0.46)
SCHEMBL19139906 0.81 NQO1 (0.56) NQO1ACACBL3MBTL1LTA4HAKR1C3
SCHEMBL28687086 0.81 ACACB (0.40) ACACB
SCHEMBL15283777 0.79 NQO1 (0.48) NQO1ACACBL3MBTL1LTA4HAKR1C3
SCHEMBL6168264 0.79 CA1 (0.46) L3MBTL1AKR1C3AKR1C2TSHRTDP1
SCHEMBL11603750 0.78 NQO1 (0.64) NQO1ACACBL3MBTL1LTA4HAKR1C3
SCHEMBL13558759 0.78 NQO1 (0.64) NQO1ACACBL3MBTL1LTA4HAKR1C3

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 NQO1 2752/4885ACACB 827/4885L3MBTL1 324/4885

“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.