SCHEMBL425892

SCHEMBL425892

CCOc1nc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
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
DGAT1 O75907 1/20 0.37
UCHL1 P09936 1/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
IRAK4 Q9NWZ3 4/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
HIF1A Q16665 1/20 0.33
CNR1 P21554 1/20 0.33
KMT2A Q03164 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
SCHEMBL429160 0.90 UCHL1 (0.40) LMNAMAPK1ALDH1A1MAPTSMN1; SMN2
SCHEMBL423702 0.87 PDCD1 (0.43) LMNAALDH1A1MAPTSMN1; SMN2TDP1
SCHEMBL428799 0.74 NNMT (0.40) ALDH1A1TDP1DGAT1UCHL1CD274
SCHEMBL424243 0.73 TDP1 (0.52) ALDH1A1HTTSMN1; SMN2TDP1DGAT1
SCHEMBL424839 0.73 TUBB4A (0.47) LMNAMAPK1ALDH1A1MAPTHTT
SCHEMBL12427772 0.71 PDCD1 (0.58) ALDH1A1MAPTHTTSMN1; SMN2TDP1
SCHEMBL31275434 0.71 CD274 (0.42) DGAT1PDCD1CD274
SCHEMBL28937267 0.70 MAPK1 (0.51) MAPK1ALDH1A1MAPTSMN1; SMN2TDP1
SCHEMBL16278214 0.70 MAPT (0.43) ALDH1A1MAPTSMN1; SMN2DGAT1IRAK4
SCHEMBL426959 0.70 ALDH1A1 (0.37) LMNAMAPK1ALDH1A1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2417121-A1 4, 5-DIHYDRO-1H-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES Pfizer Inc. (US) 2012-02-15 EP disclosed
US-20120022058-A1 4,5-DIHYDRO-1H-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES PFIZER INC. 2012-01-26 US disclosed
WO-2010116282-A1 4, 5-DIHYDRO-LH-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES PFIZER INC. (US) 2010-10-14 WO 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 LMNA 3201/4885MAPK1 761/4885ALDH1A1 1128/4885

“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.