SCHEMBL5452274

SCHEMBL5452274

CCCOc1ccc(C=O)c(OCCOC)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.41
HPGD P15428 4/20 0.41
ALDH1A1 P00352 3/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FDPS P14324 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
ERN1 O75460 2/20 0.38
TLR4 O00206 1/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
ALOX12 P18054 1/20 0.34
MAPK1 P28482 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34

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 0.92 ALDH1A1 (0.43) HPGDALDH1A1HTTSMN1; SMN2FDPS
SCHEMBL11684336 0.86 GAA (0.46) HPGDALDH1A1HTTSMN1; SMN2FDPS
SCHEMBL5445558 0.86 ERN1 (0.43) HPGDALDH1A1HTTSMN1; SMN2FDPS
SCHEMBL4725328 0.86 ALDH1A1 (0.47) EGFRHPGDALDH1A1HTTSMN1; SMN2
SCHEMBL5444761 0.85 ERN1 (0.40) HPGDALDH1A1HTTSMN1; SMN2KDM4E
SCHEMBL5456528 0.84 ALDH1A1 (0.44) HPGDALDH1A1HTTSMN1; SMN2FDPS
SCHEMBL5443168 0.84 HPGD (0.37) HPGDALDH1A1HTTSMN1; SMN2KDM4E
SCHEMBL5456536 0.83 ADRB2 (0.45) HPGDALDH1A1HTTSMN1; SMN2KDM4E
SCHEMBL5446680 0.83 ALDH1A1 (0.36) HPGDALDH1A1HTTSMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL5450232 0.82 ADRB2 (0.44) HPGDALDH1A1HTTSMN1; SMN2KDM4E

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
JP-2007506661-A 2007-03-22 JP claimed
US-20070037846-A1 Pyrazolidinedione derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-15 US claimed
EP-1638540-A2 PYRAZOLIDINEDIONE DERIVATIVES AND THEIR USE AS PLATELET AGGREGATION INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2006-03-29 EP claimed
WO-2005000281-A2 PYRAZOLIDINEDIONE DERIVATIVES AND THEIR USE AS PLATELET AGGREGATION INHIBITORS ACTELION PHARMACEUTICALS LTD. (CH) 2005-01-06 WO claimed
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-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 EGFR 2397/4885HPGD 337/4885ALDH1A1 1198/4885

“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.