SCHEMBL5449368

SCHEMBL5449368

CCS(=O)(=O)Oc1ccc(C=O)c(C)c1C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALPL P05186 3/20 0.43
ALPI P09923 3/20 0.43
ALDH1A1 P00352 8/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KCNJ1 P48048 1/20 0.32
HTT P42858 2/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KMT2A Q03164 2/20 0.31
TUBB1 Q9H4B7 1/20 0.31
MEN1 O00255 1/20 0.31
MCOLN3 Q8TDD5 1/20 0.31
TSHR P16473 1/20 0.31
KDM4E B2RXH2 1/20 0.30
PRKDC P78527 1/20 0.30

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
SCHEMBL4462296 0.77 ALDH1A1 (0.35) ALDH1A1
SCHEMBL29209233 0.74 ALPL (0.35) ALPLALPI
SCHEMBL5456528 0.74 ALDH1A1 (0.44) ALDH1A1LMNAL3MBTL1HTTHPGD
SCHEMBL29953692 0.74 ALDH1A1 (0.52) ALDH1A1L3MBTL1TUBB1TSHRKDM4E
SCHEMBL851964 0.74 ALDH1A1 (0.52) ALDH1A1L3MBTL1TUBB1TSHRKDM4E
Ammonia Solution, Strong SCHEMBL29087127 0.73 ALPL (0.34) ALPLALPIKMT2AKDM4E
SCHEMBL7333640 0.72 ERN1 (0.42) ALDH1A1LMNAKCNJ1HTTHPGD
SCHEMBL4353272 0.72 ALDH1A1 (0.50) ALDH1A1LMNAKCNJ1KMT2AMEN1
SCHEMBL29818681 0.72 ALDH1A1 (0.50) ALDH1A1LMNAKCNJ1KMT2AMEN1
SCHEMBL6242749 0.71 ALDH1A1 (0.36) ALDH1A1LMNAL3MBTL1KCNJ1HTT

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 ALPL 3568/4885ALPI 1669/4885ALDH1A1 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.