SCHEMBL5753202

SCHEMBL5753202

CCC(=O)/C(=C/c1cc(Cl)cc(Cl)c1)C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
GPR35 Q9HC97 1/20 0.39
ALDH1A1 P00352 2/20 0.38
PTGS1 P23219 1/20 0.37
GLO1 Q04760 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
GLA P06280 1/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 2/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA7 P43166 1/20 0.35
TPMT P51580 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TRPA1 O75762 1/20 0.31

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
SCHEMBL5750700 1.00 KDM4E (0.41) KDM4EGPR35ALDH1A1PTGS1GLO1
SCHEMBL5750703 1.00 KDM4E (0.41) KDM4EGPR35ALDH1A1PTGS1GLO1
SCHEMBL5752330 0.93 PTGS1 (0.41) KDM4EGPR35ALDH1A1PTGS1L3MBTL1
SCHEMBL5750483 0.85 KDM4E (0.50) KDM4EGPR35ALDH1A1PTGS1GLO1
SCHEMBL5754095 0.81 PTGS1 (0.34) ALDH1A1PTGS1MAPT
SCHEMBL5754092 0.81 PTGS1 (0.34) ALDH1A1PTGS1MAPT
SCHEMBL5750890 0.76 ALDH1A1 (0.38) KDM4EGPR35ALDH1A1PTGS1GLO1
SCHEMBL5750889 0.76 ALDH1A1 (0.38) KDM4EGPR35ALDH1A1PTGS1GLO1
SCHEMBL5755286 0.76 ALDH1A1 (0.38) KDM4EGPR35ALDH1A1PTGS1GLO1
SCHEMBL8028859 0.75 KMT2A (0.56) KDM4EALDH1A1GLO1TDP1GLA

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 KDM4E 2314/4885GPR35 3200/4885ALDH1A1 228/4885
US-20040209862-A1 Pyrazole derivatives POLRMT, TPMT, CYP3A43 KDM4E 2314/4885GPR35 3200/4885ALDH1A1 228/4885

“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.