SCHEMBL7203237

SCHEMBL7203237

C#CC(O)c1ccc(COCC)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.42
ESR1 P03372 3/20 0.39
ESR2 Q92731 3/20 0.39
IDO1 P14902 2/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 2/20 0.34
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
PER2 O15055 1/20 0.31
CRY1 Q16526 1/20 0.31
CRY2 Q49AN0 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL7207778 0.82 ESR1 (0.41) ALOX5ESR1ESR2IDO1CA1
SCHEMBL7201693 0.80 TSHR (0.45) ESR1ESR2IDO1HPGDHTT
SCHEMBL18911053 0.78 IDO1 (0.42) ALOX5ESR1ESR2IDO1CA1
SCHEMBL7204878 0.77 LPL (0.42) ESR1ESR2CA2
SCHEMBL18911062 0.77 LMNA (0.50) ALOX5ESR1ESR2IDO1CA1
SCHEMBL7204275 0.75 NQO1 (0.52) HPGD
SCHEMBL20645771 0.75 PTGS2 (0.46) ESR1ESR2
SCHEMBL133476 0.74 TSHR (0.48) IDO1CA1CA2CA9
SCHEMBL29184903 0.74 ESR1 (0.46) ESR1ESR2
SCHEMBL20645778 0.74 BCHE (0.32) ESR1ESR2

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 ALOX5 299/4885ESR1 4726/4885ESR2 4398/4885

“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.