SCHEMBL7199108

SCHEMBL7199108

C#CC(O)c1ccc(-c2ccc(C)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.40
CHRNA7 P36544 1/20 0.35
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
PTGS2 P35354 1/20 0.34
GRIA4 P48058 1/20 0.34
ACHE P22303 3/20 0.33
AKR1C2 P52895 2/20 0.33
AKR1C3 P42330 1/20 0.33
ENPP3 O14638 1/20 0.33
ENPP1 P22413 1/20 0.33
KIF11 P52732 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
AKR1C1 Q04828 1/20 0.32

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
SCHEMBL7199129 0.94 CHRNA7 (0.39) FFAR1CHRNA7ESR1ESR2ACHE
SCHEMBL29184903 0.82 ESR1 (0.46) ESR1ESR2
SCHEMBL6390318 0.81 PTGS2 (0.48) FFAR1PTGS2ALDH1A1
SCHEMBL11487860 0.79 TSHR (0.40) FFAR1ESR1ESR2TDP1
SCHEMBL7206636 0.79 BCL2L1 (0.42) FFAR1ESR1ESR2ALDH1A1SMN1; SMN2
SCHEMBL11491252 0.79 ALDH1A1 (0.39) ESR1ESR2ALDH1A1
SCHEMBL7203087 0.76 TYR (0.40) ESR1ESR2ALDH1A1SMN1; SMN2
SCHEMBL11978843 0.75 CHRNA7 (0.42) FFAR1CHRNA7PTGS2GRIA4ACHE
SCHEMBL9547873 0.75 CHRNA7 (0.42) FFAR1CHRNA7ACHETDP1ALDH1A1
SCHEMBL12807984 0.73 PTPN5 (0.47) FFAR1CHRNA7PTGS2GRIA4ACHE

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 FFAR1 1261/4885CHRNA7 1206/4885ESR1 4726/4885

“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.