SCHEMBL7202031

SCHEMBL7202031

C#CCOc1ccc(C(O)C#C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.46
CA4 P22748 4/20 0.46
CA9 Q16790 4/20 0.46
CA1 P00915 2/20 0.46
GSTP1 P09211 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
MAOA P21397 7/20 0.42
MAOB P27338 7/20 0.42
ACHE P22303 1/20 0.42
PTGS2 P35354 2/20 0.38
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
PARP1 P09874 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
SCHEMBL7204275 0.81 NQO1 (0.52)
SCHEMBL8645925 0.80 CA12 (0.52) CA12CA4CA9CA1GSTP1
SCHEMBL16774572 0.80 MAOB (0.46) CA12CA4CA9CA1GSTP1
SCHEMBL5704167 0.79 CA12 (0.63) CA12CA4CA9CA1GSTP1
SCHEMBL7201248 0.79 FFAR1 (0.36) MAOAMAOB
SCHEMBL15010950 0.79 LTA4H (0.47)
SCHEMBL7202465 0.79 LTA4H (0.47)
SCHEMBL30704250 0.79 LTA4H (0.50) CA12CA4CA9CA1GSTP1
SCHEMBL25598615 0.77 CA12 (0.42) CA12CA4CA9CA1GSTP1
SCHEMBL9427853 0.77 CA12 (0.46) CA12CA4CA9CA1GSTP1

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 CA12 3298/4885CA4 89/4885CA9 1717/4885

“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.