SCHEMBL3177629

SCHEMBL3177629

CC(C)(COc1ccc(CO)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.48
PRKCA P17252 1/20 0.47
PRKCD Q05655 1/20 0.47
PPARG P37231 4/20 0.46
PPARA Q07869 2/20 0.46
L3MBTL1 Q9Y468 3/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.44
ALOX5 P09917 2/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
NR4A1 P22736 1/20 0.43
NR4A2 P43354 1/20 0.43
NR4A3 Q92570 1/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL3184534 0.85 MAOB (0.44) MAOBPRKCAPRKCDPPARGL3MBTL1
SCHEMBL3176307 0.84 NR1H4 (0.46) MAOBPRKCAPRKCDPPARGPPARA
SCHEMBL6258983 0.79 MAOB (0.51) MAOBPRKCAPRKCDPPARGPPARA
SCHEMBL13686681 0.79 PRKCA (0.66) MAOBPRKCAPRKCDPPARGL3MBTL1
SCHEMBL23135473 0.78 ALDH1A1 (0.53) MAOBL3MBTL1MAPTALDH1A1SMN1; SMN2
SCHEMBL1537721 0.78 ALDH1A1 (0.53) MAOBL3MBTL1MAPTALDH1A1SMN1; SMN2
SCHEMBL621696 0.78 ALDH1A1 (0.56) MAOBPRKCAPRKCDL3MBTL1MAPT
SCHEMBL10159813 0.76 PPARG (0.44) PPARGPPARAL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL5728700 0.76 PPARA (0.51) MAOBPPARGPPARAL3MBTL1SMN1; SMN2
SCHEMBL20362639 0.76 ALDH1A1 (0.64) MAOBL3MBTL1MAPTALDH1A1SMN1; SMN2

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
EP-1544208-B1 PYRAZOLE DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF, AND INTERMEDIATE FOR PRODUCTION THEREOF KISSEI PHARMACEUTICAL (JP) 2010-05-26 EP disclosed
US-7655632-B2 Pyrazole derivative, medicinal composition containing the same, medicinal use thereof, and intermediate for production thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-02-02 US disclosed
US-20080312153-A1 PYRAZOLE DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF, AND INTERMEDIATE FOR PRODUCTION THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 US disclosed
US-7375087-B2 Pyrazole derivative, medicinal composition containing the same, medicinal use thereof, and intermediate for production thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-05-20 US disclosed
US-20060166899-A1 Pyrazole derivative, medicinal composition containing the same, medicinal use thereof, and intermediate for production thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2006-07-27 US disclosed
EP-1544208-A1 PYRAZOLE DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF, AND INTERMEDIATE FOR PRODUCTION THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2005-06-22 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-20060166899-A1 Pyrazole derivative, medicinal composition containing the same, medicinal use thereof, and intermediate for production thereof SLC5A1, SLC5A2, SULT2A1 MAOB 1514/4885PRKCA 3438/4885PRKCD 2975/4885
US-20080312153-A1 PYRAZOLE DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF, AND INTERMEDIATE FOR PRODUCTION THEREOF SLC5A1, SLC5A2, SULT2A1 MAOB 1514/4885PRKCA 3438/4885PRKCD 2975/4885

“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.