SCHEMBL4516014

SCHEMBL4516014

C=CCOc1ccc(CCl)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.47
ALDH1A1 P00352 3/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
CA12 O43570 5/20 0.41
CA1 P00915 5/20 0.41
CA9 Q16790 5/20 0.41
MAOA P21397 1/20 0.41
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
RAB9A P51151 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
SCHEMBL22700982 0.85 ALDH1A1 (0.48) HPGDALDH1A1GAAMAPTMEN1
SCHEMBL4509661 0.83 ALDH1A1 (0.47) HPGDALDH1A1GAAMAPTMEN1
SCHEMBL4516025 0.83 ALDH1A1 (0.47) HPGDALDH1A1GAAMAPTMEN1
SCHEMBL27762926 0.80 ALDH1A1 (0.53) HPGDALDH1A1GAAMAPTMEN1
SCHEMBL5049281 0.80 MAPT (0.43) HPGDALDH1A1GAAMAPTMEN1
SCHEMBL10650052 0.79 MCL1 (0.54) HPGDALDH1A1GAAMAPTMEN1
SCHEMBL10606335 0.79 NQO1 (0.48) HPGDALDH1A1GAAMAPTMEN1
SCHEMBL7109956 0.78 MEN1 (0.44) HPGDALDH1A1GAAMAPTMEN1
SCHEMBL4778778 0.77 ALDH1A1 (0.50) HPGDALDH1A1GAAMAPTMEN1
SCHEMBL10604603 0.76 ACACB (0.43) HPGDALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264485-A1 Pyrazole Derivatives, Their Manufacture and Their Use as Pharmaceutical Agents F. HOFFMANN-LA ROCHE AG (CH) 2009-10-22 US disclosed
US-20090264485-A1 Pyrazole Derivatives, Their Manufacture and Their Use as Pharmaceutical Agents F. HOFFMANN-LA ROCHE AG (CH) 2009-10-22 US disclosed
US-20090264485-A1 Pyrazole Derivatives, Their Manufacture and Their Use as Pharmaceutical Agents F. HOFFMANN-LA ROCHE AG (CH) 2009-10-22 US disclosed
CN-101208335-A Pyrazole derivatives, their manufacture and their use as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2008-06-25 CN disclosed
EP-1915370-A1 PYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND THEIR USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-04-30 EP disclosed
WO-2007017222-A1 PYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND THEIR USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-15 WO disclosed
WO-2007017222-A1 PYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND THEIR USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-15 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-20090264485-A1 Pyrazole Derivatives, Their Manufacture and Their Use as Pharmaceutical Agents CYP3A5, CYP3A43, CYP3A7 HPGD 138/4885ALDH1A1 128/4885GAA 1984/4885

“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.