SCHEMBL5456528

SCHEMBL5456528

CCCOc1ccc(C=O)c(C)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
HPGD P15428 3/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 5/20 0.43
KDM4E B2RXH2 4/20 0.43
ERN1 O75460 2/20 0.40
GAA P10253 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
ATM Q13315 1/20 0.39
GPR55 Q9Y2T6 1/20 0.38
FDPS P14324 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
SCHEMBL5454243 0.91 ALDH1A1 (0.43) ALDH1A1HPGDHTTSMN1; SMN2MAPT
SCHEMBL5445558 0.88 ERN1 (0.43) ALDH1A1HPGDHTTSMN1; SMN2MAPT
SCHEMBL5450201 0.85 ERN1 (0.46) ALDH1A1HPGDHTTSMN1; SMN2MAPT
SCHEMBL11684336 0.85 GAA (0.46) ALDH1A1HPGDHTTSMN1; SMN2MAPT
SCHEMBL5452274 0.84 EGFR (0.41) ALDH1A1HPGDHTTSMN1; SMN2MAPT
SCHEMBL5444761 0.84 ERN1 (0.40) ALDH1A1HPGDHTTSMN1; SMN2MAPT
SCHEMBL8546246 0.84 ALDH1A1 (0.56) ALDH1A1HPGDHTTSMN1; SMN2MAPT
SCHEMBL4725328 0.84 ALDH1A1 (0.47) ALDH1A1HPGDHTTSMN1; SMN2MAPT
SCHEMBL5443168 0.83 HPGD (0.37) ALDH1A1HPGDHTTSMN1; SMN2MAPT
SCHEMBL5446548 0.82 PTGDR2 (0.50) ALDH1A1HPGDMAPTKDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070037846-A1 Pyrazolidinedione derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-15 US disclosed
EP-1638540-A2 PYRAZOLIDINEDIONE DERIVATIVES AND THEIR USE AS PLATELET AGGREGATION INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2006-03-29 EP disclosed
WO-2005002574-A1 PYRAZOLIDINEDIONE DERIVATIVES AND THEIR USE AS PLATELET AGGREGATION INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2005-01-13 WO disclosed
WO-2005000281-A2 PYRAZOLIDINEDIONE DERIVATIVES AND THEIR USE AS PLATELET AGGREGATION INHIBITORS ACTELION PHARMACEUTICALS LTD. (CH) 2005-01-06 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-20070037846-A1 Pyrazolidinedione derivatives P2RY1, P2RY4, P2RY2 ALDH1A1 1198/4885HPGD 337/4885HTT 1510/4885

“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.