SCHEMBL5753353

SCHEMBL5753353

CC(=O)/C(=C/c1cccc(Cl)c1)C(=O)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 2/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
FBP1 P09467 2/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
AKR1C3 P42330 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
MAOB P27338 2/20 0.40
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PTGS2 P35354 1/20 0.39
CHRM5 P08912 1/20 0.39
KCNA3 P22001 1/20 0.38
MAOA P21397 1/20 0.38

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
SCHEMBL5753360 1.00 GLO1 (0.46) GLO1CYP1A2CYP2C9FBP1KMT2A
SCHEMBL5754740 1.00 GLO1 (0.46) GLO1CYP1A2CYP2C9FBP1KMT2A
SCHEMBL11547520 0.87 GLO1 (0.57) GLO1CYP1A2CYP2C9FBP1KMT2A
SCHEMBL16285258 0.84 HPGD (0.46) GLO1CYP1A2CYP2C9FBP1KMT2A
SCHEMBL5750889 0.84 ALDH1A1 (0.38) GLO1KDM4EALDH1A1POLBGAA
SCHEMBL5750890 0.84 ALDH1A1 (0.38) GLO1KDM4EALDH1A1POLBGAA
SCHEMBL5755286 0.84 ALDH1A1 (0.38) GLO1KDM4EALDH1A1POLBGAA
SCHEMBL9476279 0.83 AKR1C3 (0.51) GLO1CYP1A2CYP2C9FBP1KMT2A
SCHEMBL9476285 0.83 AKR1C3 (0.51) GLO1CYP1A2CYP2C9FBP1KMT2A
SCHEMBL5751671 0.82 PTGS1 (0.47) GLO1CYP1A2FBP1AKR1C3PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7141585-B2 Pyrazole derivatives AGOURON PHARMACEUTICALS, INC. (US) 2006-11-28 US disclosed
EP-1299361-B1 PYRAZOLE DERIVATIVES PFIZER LTD (GB) 2006-07-19 EP disclosed
US-20040209862-A1 Pyrazole derivatives PFIZER, INC. 2004-10-21 US disclosed
US-6750230-B2 use treating Human Immunodeficiency Virus (HIV) , or genetically related retroviral, infection or a resulting acquired immunodeficiency syndrome (AIDS); 2-[4-(3,5-dichlorobenzyl)-3,5-diethyl-1H-pyrazol-1-yl]ethanol for example; reverse transcriptase inhibitors PFIZER, INC. 2004-06-15 US disclosed
EP-1299361-A1 PYRAZOLE DERIVATIVES Pfizer Limited (GB) 2003-04-09 EP disclosed
WO-2002004424-A9 PYRAZOLE DERIVATIVES PFIZER LTD (GB) 2002-12-12 WO disclosed
US-20020032184-A1 Pyrazole derivatives PFIZER INC. 2002-03-14 US disclosed
WO-2002004424-A1 PYRAZOLE DERIVATIVES PFIZER LIMITED (GB) 2002-01-17 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 (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-20020032184-A1 Pyrazole derivatives POLRMT, TPMT, CYP3A43 GLO1 1086/4885CYP1A2 52/4885CYP2C9 59/4885
US-20040209862-A1 Pyrazole derivatives POLRMT, TPMT, CYP3A43 GLO1 1086/4885CYP1A2 52/4885CYP2C9 59/4885

“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.