SCHEMBL1268469

SCHEMBL1268469

CC(C)Cc1ccc(Cc2c(C(C)C)[nH][nH]c2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
DAO P14920 2/20 0.38
PTGS1 P23219 3/20 0.37
PTGS2 P35354 3/20 0.37
LMNA P02545 2/20 0.37
CYP2C9 P11712 2/20 0.37
AKR1C3 P42330 2/20 0.37
CXCR1 P25024 2/20 0.37
CXCR2 P25025 2/20 0.37
ALOX5 P09917 2/20 0.37
ALB P02768 1/20 0.37
ESR1 P03372 1/20 0.37
RARB P10826 1/20 0.37
ADRB3 P13945 1/20 0.37
NFKB1 P19838 1/20 0.37
HTR2A P28223 1/20 0.37
NR1I3 Q14994 1/20 0.37

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
SCHEMBL3176446 0.84 PDE3B (0.38) POLBMAPTDAOLMNATSHR
SCHEMBL3173218 0.84 DAO (0.34) MAPTDAOTSHRPMP22ALDH1A1
SCHEMBL2292345 0.83 DAO (0.45) MEN1KMT2ADAOLMNATSHR
SCHEMBL9111655 0.83 TSHR (0.39) MEN1KMT2ADAOLMNATSHR
SCHEMBL2257545 0.82 MEN1 (0.44) MEN1POLBMAPTKMT2ADAO
SCHEMBL9592875 0.77 PDE10A (0.47) DAONFKB1HTR2A
SCHEMBL4176572 0.73 ALDH1A1 (0.41) DAOLMNATSHRALDH1A1
SCHEMBL4169393 0.70 PPARG (0.43) MEN1POLBKMT2ACYP2C9ALDH1A1
SCHEMBL8120565 0.70 PTGS1 (0.50) MEN1POLBMAPTKMT2APTGS1
SCHEMBL2253443 0.69 DAO (0.41) MEN1KMT2ADAOALDH1A1NPSR1

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-7888487-B2 Pyrazole derivative, medicinal composition containing the same, medicinal use thereof and intermediate in producing the same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2011-02-15 US disclosed
US-20100029919-A1 PYRAZOLE DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF AND INTERMEDIATE IN PRODUCING THE SAME KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-02-04 US disclosed
US-7576063-B2 Pyrazole derivative, medicinal composition containing the same, medicinal use thereof and intermediate in producing the same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-08-18 US disclosed
US-20060128635-A1 Pyrazole derivative, medicinal composition containing the same, medicinal use thereof and intermediate in producing the same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2006-06-15 US disclosed
EP-1550668-A1 PYRAZOLE DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF AND INTERMEDIATE IN PRODUCING THE SAME Kissei Pharmaceutical Co., Ltd. (JP) 2005-07-06 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-20100029919-A1 PYRAZOLE DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF AND INTERMEDIATE IN PRODUCING THE SAME SLC2A3, SLC2A1, SLC5A1 MEN1 1742/4885POLB 4484/4885MAPT 1962/4885
US-20060128635-A1 Pyrazole derivative, medicinal composition containing the same, medicinal use thereof and intermediate in producing the same SLC2A3, SLC2A1, SLC5A1 MEN1 1948/4885POLB 4467/4885MAPT 1707/4885

“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.