SCHEMBL7202041

SCHEMBL7202041

CCCCc1ccc(C(=O)C#Cc2cccs2)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.47
RARB P10826 5/20 0.44
PLK1 P53350 1/20 0.44
THRA P10827 4/20 0.43
THRB P10828 4/20 0.43
TRPV1 Q8NER1 1/20 0.43
LMNA P02545 1/20 0.42
RECQL P46063 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HAO1 Q9UJM8 1/20 0.40

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
SCHEMBL7207752 0.92 FFAR1 (0.49) FFAR1PLK1THRBLMNAALDH1A1
SCHEMBL7200084 0.86 RAB9A (0.50) FFAR1PLK1LMNAALDH1A1HPGD
SCHEMBL7202504 0.81 FFAR1 (0.40) FFAR1TRPV1ALDH1A1HPGD
SCHEMBL7203117 0.80 FFAR1 (0.42) FFAR1ALDH1A1HPGD
SCHEMBL7201310 0.79 VCP (0.57) FFAR1LMNAALDH1A1HPGDHSD17B10
SCHEMBL7203450 0.78 MEN1 (0.51) PLK1THRBLMNAALDH1A1HPGD
SCHEMBL7202747 0.77 HSP90AA1 (0.49) FFAR1LMNAALDH1A1HPGD
SCHEMBL7203523 0.76 RAB9A (0.49) FFAR1LMNAALDH1A1HPGD
SCHEMBL7204585 0.76 APP (0.51) FFAR1LMNAALDH1A1HPGD
SCHEMBL7205970 0.75 RAB9A (0.41) FFAR1PLK1LMNAALDH1A1HAO1

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 3 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

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 1261/4885RARB 4316/4885PLK1 4691/4885

“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.