SCHEMBL7207778

SCHEMBL7207778

C#CC(O)c1ccc(COC)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.41
ESR2 Q92731 4/20 0.41
ALOX5 P09917 4/20 0.38
ACACB O00763 1/20 0.37
IDO1 P14902 2/20 0.36
ADRB3 P13945 1/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
FFAR1 O14842 3/20 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
SCHEMBL7203237 0.82 ALOX5 (0.42) ESR1ESR2ALOX5IDO1RXRA
SCHEMBL358451 0.81 TSHR (0.48) ESR1ESR2ALOX5ACACBIDO1
SCHEMBL7201693 0.79 TSHR (0.45) ESR1ESR2IDO1
SCHEMBL29184903 0.77 ESR1 (0.46) ESR1ESR2
SCHEMBL27915242 0.76 IDO1 (0.45) ESR1ESR2ACACBIDO1ADRB3
SCHEMBL7204878 0.76 LPL (0.42) ESR1ESR2ACACBCA2
SCHEMBL7201248 0.75 FFAR1 (0.36) ACACBRXRARXRBFFAR1
SCHEMBL31435835 0.75 ESR1 (0.44) ESR1ESR2ACACBIDO1ADRB3
SCHEMBL7367858 0.75 ABAT (0.43) ESR1ESR2
SCHEMBL6168264 0.75 CA1 (0.46) CA1CA2

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

“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.