SCHEMBL7204878

SCHEMBL7204878

C#CC(O)c1ccc(CCC)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LPL P06858 2/20 0.42
LIPG Q9Y5X9 2/20 0.42
ACACB O00763 3/20 0.42
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
PLK1 P53350 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
THRB P10828 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
KMT2A Q03164 1/20 0.36
ACACA Q13085 1/20 0.36
CA2 P00918 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL7202338 0.89 CA1 (0.46) LPLLIPGESR1PLK1THRB
SCHEMBL7201693 0.84 TSHR (0.45) LPLLIPGESR1ESR2PLK1
SCHEMBL29184903 0.78 ESR1 (0.46) ESR1ESR2
SCHEMBL21286907 0.77 LPL (0.50) LPLLIPGACACBESR1PLK1
SCHEMBL7203237 0.77 ALOX5 (0.42) ESR1ESR2CA2
SCHEMBL7367858 0.76 ABAT (0.43) ESR1ESR2
SCHEMBL7201331 0.76 ESR1 (0.37) ESR1ESR2KMT2A
SCHEMBL7207778 0.76 ESR1 (0.41) ACACBESR1ESR2CA2
SCHEMBL28597031 0.76 ACACB (0.38) LPLLIPGACACBESR1ESR2
SCHEMBL14540984 0.75 LPL (0.48) LPLLIPGACACBPLK1CNR1

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 LPL 3863/4885LIPG 4855/4885ACACB 827/4885

“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.