SCHEMBL730888

SCHEMBL730888

CC(C)Cc1cc(C(=O)O)nn1C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.36
MCL1 Q07820 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HCAR3 P49019 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
CACNA1G O43497 2/20 0.34
CACNA1H O95180 2/20 0.34
KCNH2 Q12809 2/20 0.34
BACE1 P56817 2/20 0.34
KDM4E B2RXH2 2/20 0.34
GRN P28799 1/20 0.34
SORT1 Q99523 1/20 0.34
BAZ2B Q9UIF8 1/20 0.34
POLB P06746 2/20 0.34
GAA P10253 1/20 0.33
APOBEC3A P31941 1/20 0.33
CHRM3 P20309 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
SCHEMBL1234340 0.86 PLA2G10 (0.43) ALDH1A1MAPTBACE1BAZ2BPOLB
SCHEMBL8508062 0.80 HCAR2 (0.39) ALDH1A1HCAR2MAPTHTTKDM4E
SCHEMBL3576265 0.80 HCAR2 (0.42) MDM2MCL1ALDH1A1HCAR3HCAR2
SCHEMBL1739452 0.80 MARS1 (0.41) MDM2MCL1ALDH1A1HCAR3HTT
SCHEMBL731177 0.80 MPO (0.46) ALDH1A1MAPTKDM4EPOLBGAA
SCHEMBL6442036 0.77 HCAR2 (0.45) ALDH1A1HCAR3HCAR2MAPTKDM4E
SCHEMBL16241332 0.76 ALDH1A1 (0.55) MDM2MCL1ALDH1A1CACNA1GCACNA1H
SCHEMBL12985115 0.76 HCAR2 (0.47) ALDH1A1HCAR3HCAR2KDM4EGRN
SCHEMBL11455736 0.75 KDM4E (0.34) ALDH1A1HCAR2MAPTHTTKDM4E
SCHEMBL23399240 0.74 GABRA1 (0.32) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138173-B2 Pyrazolo[3,4-C]quinolines, pyrazolo[3,4-C]naphthyridines, analogs thereof, and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-03-20 US disclosed
US-20090069299-A1 Pyrazolo[3,4-c]Quinolines, Pyrazolo[3,4-c]Naphthyridines, Analogs Thereof, and Methods COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-03-12 US disclosed
US-20080280974-A1 Spiro compounds for treatment of inflammatory disorders CRABTREE ACQUISITION CO, LLC 2008-11-13 US disclosed
US-20080280974-A1 Spiro compounds for treatment of inflammatory disorders CRABTREE ACQUISITION CO, LLC 2008-11-13 US 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-20090069299-A1 Pyrazolo[3,4-c]Quinolines, Pyrazolo[3,4-c]Naphthyridines, Analogs Thereof, and Methods IL4, IL2, IL5 MDM2 1908/4885MCL1 780/4885ALDH1A1 1384/4885
US-20080280974-A1 Spiro compounds for treatment of inflammatory disorders NR3C2, PTGER2, PTGER1 MDM2 3729/4885MCL1 4561/4885ALDH1A1 291/4885

“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.