SCHEMBL426959

SCHEMBL426959

CCOc1nc(C2CC(C)(C)C(C)(C)C2)ccc1C(=O)OC

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
IRAK4 Q9NWZ3 7/20 0.37
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
CNR2 P34972 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
KDM4E B2RXH2 1/20 0.33
IDH1 O75874 1/20 0.33
CNR1 P21554 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
SCHEMBL424839 0.73 TUBB4A (0.47) ALDH1A1MAPTHTTSMN1; SMN2TDP1
SCHEMBL12427772 0.71 PDCD1 (0.58) ALDH1A1MAPTHTTSMN1; SMN2TDP1
SCHEMBL425892 0.70 LMNA (0.38) ALDH1A1MAPTHTTSMN1; SMN2TDP1
SCHEMBL25148734 0.69 PDCD1 (0.44) ALDH1A1MAPTSMN1; SMN2TDP1PDCD1
SCHEMBL30364876 0.69 PDCD1 (0.44) ALDH1A1MAPTSMN1; SMN2TDP1PDCD1
SCHEMBL25149632 0.67 NNMT (0.41) TDP1IRAK4CD274IDH1
SCHEMBL15058465 0.65 NPSR1 (0.42) ALDH1A1MAPTSMN1; SMN2LMNACNR2
SCHEMBL28994011 0.64 SMN1; SMN2 (0.44) ALDH1A1MAPTSMN1; SMN2LMNAL3MBTL1
SCHEMBL21128314 0.64 ALDH1A1 (0.42) ALDH1A1MAPTHTTSMN1; SMN2TDP1
SCHEMBL2683652 0.63 ALDH1A1 (0.42) ALDH1A1MAPTSMN1; SMN2TDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022058-A1 4,5-DIHYDRO-1H-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES PFIZER INC. 2012-01-26 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 (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-20120022058-A1 4,5-DIHYDRO-1H-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES NR3C2, REN, AGTR1 ALDH1A1 1128/4885MAPT 3989/4885HTT 4738/4885

“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.