SCHEMBL5445558

SCHEMBL5445558

CCCOc1ccc(C=O)c(OC)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.43
FDPS P14324 1/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 2/20 0.40
TUBB1 Q9H4B7 2/20 0.40
MAPT P10636 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39

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 0.90 ALDH1A1 (0.43) ERN1FDPSALDH1A1HPGDHTT
SCHEMBL5456528 0.88 ALDH1A1 (0.44) ERN1FDPSALDH1A1HPGDHTT
SCHEMBL5452274 0.86 EGFR (0.41) ERN1FDPSALDH1A1HPGDHTT
SCHEMBL11684336 0.84 GAA (0.46) ERN1FDPSALDH1A1HPGDHTT
SCHEMBL5444761 0.83 ERN1 (0.40) ERN1ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL1846692 0.83 ALDH1A1 (0.48) ERN1ALDH1A1KDM4ETUBB1MAPT
SCHEMBL5443168 0.82 HPGD (0.37) ERN1ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL5456536 0.81 ADRB2 (0.45) ALDH1A1HPGDHTTSMN1; SMN2KDM4E
SCHEMBL5446548 0.81 PTGDR2 (0.50) ALDH1A1HPGDKDM4EMAPTL3MBTL1
SCHEMBL5446680 0.81 ALDH1A1 (0.36) ERN1ALDH1A1HPGDHTTSMN1; SMN2

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 ERN1 3893/4885FDPS 1728/4885ALDH1A1 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.