SCHEMBL4176572

SCHEMBL4176572

CC(C)c1[nH][nH]c(=O)c1Cc1ccc(CCOCc2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CAPN1 P07384 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
LTA4H P09960 1/20 0.36
DAO P14920 3/20 0.35
PPARA Q07869 1/20 0.34
PLA2G7 Q13093 1/20 0.34
PDE9A O76083 1/20 0.34
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE1C Q14123 1/20 0.34
TSHR P16473 2/20 0.34
HTT P42858 1/20 0.34
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL4169393 0.87 PPARG (0.43) ALDH1A1TDP1L3MBTL1CAPN1LTA4H
SCHEMBL4170750 0.86 L3MBTL1 (0.45) ALDH1A1TDP1L3MBTL1LTA4H
SCHEMBL4170488 0.86 L3MBTL1 (0.43) ALDH1A1TDP1L3MBTL1LTA4HHTT
SCHEMBL2292345 0.84 DAO (0.45) ALDH1A1CAPN1DAOTSHRHTT
SCHEMBL9111655 0.77 TSHR (0.39) ALDH1A1CAPN1DAOPPARATSHR
SCHEMBL3174963 0.76 LTA4H (0.45) ALDH1A1L3MBTL1LTA4HLMNA
SCHEMBL4173956 0.75 S1PR1 (0.37) ALDH1A1TDP1L3MBTL1PPARAPDE9A
SCHEMBL4180435 0.74 S1PR1 (0.36) TDP1L3MBTL1PPARAPLA2G7PDE9A
SCHEMBL27634691 0.73 HRH4 (0.40) ALDH1A1TDP1L3MBTL1CAPN1HCAR2
SCHEMBL1268469 0.73 MEN1 (0.43) ALDH1A1DAOTSHRLMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324176-B2 Pyrazole derivatives, medicinal composition containing the same, medicinal use thereof, and intermediate for production thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-12-04 US disclosed
EP-1548024-B1 PYRAZOLE DERIVATIVES, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF, AND INTERMEDIATE FOR PRODUCTION THEREOF KISSEI PHARMACEUTICAL (JP) 2012-06-06 EP disclosed
US-7635684-B2 treatment of disease associated with hyperglycemia: diabetes, impaired glucose tolerance, impaired fasting glycemia, diabetic complications or obesity; e.g. -[(4-{3-[N-(Carbamoylmethyl)-N-(methanesulfonyl)amino]-propoxy}-2-methylphenyl)methyl]-3-( beta -D-glucopyranosyloxy)-5-isopropyl-1H-pyrazole KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-12-22 US disclosed
US-20090203633-A1 PYRAZOLE DERIVATIVES, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF, AND INTERMEDIATE FOR PRODUCTION THEREOF KISSEI PHARMACEUTICAL CO., LTD (JP) 2009-08-13 US disclosed
US-20050272669-A1 Pyrazole derivatives, medicinal composition containing the same, medicinal use thereof, and intermediate for production thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2005-12-08 US disclosed
EP-1548024-A1 PYRAZOLE DERIVATIVES, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF, AND INTERMEDIATE FOR PRODUCTION THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2005-06-29 EP 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 (2 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-20090203633-A1 PYRAZOLE DERIVATIVES, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF, AND INTERMEDIATE FOR PRODUCTION THEREOF UGGT1, GCKR, SLC5A1 ALDH1A1 335/4885TDP1 4297/4885L3MBTL1 745/4885
US-20050272669-A1 Pyrazole derivatives, medicinal composition containing the same, medicinal use thereof, and intermediate for production thereof UGGT1, GCKR, SLC5A1 ALDH1A1 335/4885TDP1 4297/4885L3MBTL1 745/4885

“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.