SCHEMBL7202338

SCHEMBL7202338

C#CC(O)c1ccc(CCCC)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
RARB P10826 2/20 0.45
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 2/20 0.44
HPGD P15428 1/20 0.44
ESR1 P03372 2/20 0.43
ADRA2A P08913 2/20 0.43
ADORA3 P0DMS8 2/20 0.43
TACR2 P21452 2/20 0.43
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
SHBG P04278 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
HSPD1 P10809 1/20 0.43
ADRB3 P13945 1/20 0.43

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
SCHEMBL7204878 0.89 LPL (0.42) CA2ESR1THRBPLK1LPL
SCHEMBL7201693 0.81 TSHR (0.45) ALDH1A1HSD17B10HPGDESR1LMNA
SCHEMBL4055722 0.81 CA2 (0.55) CA1CA2RARBALDH1A1HSD17B10
SCHEMBL15010950 0.77 LTA4H (0.47) TP53SMN1; SMN2
SCHEMBL3952158 0.77 CA2 (0.52) CA1CA2RARBALDH1A1HSD17B10
SCHEMBL31435836 0.76 CA2 (0.50) CA1CA2RARBALDH1A1HSD17B10
SCHEMBL22571095 0.76 ALDH1A1 (0.53) CA1CA2RARBALDH1A1HSD17B10
SCHEMBL29184903 0.76 ESR1 (0.46) ESR1
SCHEMBL9500260 0.76 LMNA (0.52) CA1CA2RARBALDH1A1HSD17B10
SCHEMBL14840425 0.75 HTR2A (0.51) CA1CA2RARBALDH1A1HSD17B10

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 CA1 1995/4885CA2 322/4885RARB 4316/4885

“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.