SCHEMBL5753522

SCHEMBL5753522

CC(=O)C(=Cc1cc(F)cc(F)c1)C(=O)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38
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
GPR35 Q9HC97 1/20 0.36
MAPT P10636 2/20 0.34
GLO1 Q04760 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
TRPA1 O75762 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL5754213 1.00 SNCA (0.38) SNCAALDH1A1KDM4ETDP1GLA
SCHEMBL5753517 1.00 SNCA (0.38) SNCAALDH1A1KDM4ETDP1GLA
SCHEMBL5753235 0.84 PTGS1 (0.47) TDP1GAAMAPTGLO1PTGS1
SCHEMBL5751673 0.84 PTGS1 (0.47) TDP1GAAMAPTGLO1PTGS1
SCHEMBL5751671 0.84 PTGS1 (0.47) TDP1GAAMAPTGLO1PTGS1
SCHEMBL5755286 0.79 ALDH1A1 (0.38) ALDH1A1KDM4ETDP1GLAPOLB
SCHEMBL5750889 0.79 ALDH1A1 (0.38) ALDH1A1KDM4ETDP1GLAPOLB
SCHEMBL5750890 0.79 ALDH1A1 (0.38) ALDH1A1KDM4ETDP1GLAPOLB
SCHEMBL13765413 0.75 ALDH1A1 (0.50) ALDH1A1KDM4ETDP1GLAPOLB
SCHEMBL13391975 0.74 PTGS1 (0.39) SNCAPTGS1PTGS2CES2CES1

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 5 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
US-20020032184-A1 Pyrazole derivatives PFIZER INC. 2002-03-14 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 (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 SNCA 4122/4885ALDH1A1 228/4885KDM4E 2314/4885
US-20040209862-A1 Pyrazole derivatives POLRMT, TPMT, CYP3A43 SNCA 4122/4885ALDH1A1 228/4885KDM4E 2314/4885

“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.