SCHEMBL5451418

SCHEMBL5451418

Cc1cc(C=O)ccc1OCCC(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.51
ESR1 P03372 1/20 0.48
ALDH1A1 P00352 11/20 0.43
MAPT P10636 7/20 0.43
HPGD P15428 7/20 0.43
NPSR1 Q6W5P4 3/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 4/20 0.42
TDP1 Q9NUW8 3/20 0.42
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
ALOX12 P18054 1/20 0.41
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP2C9 P11712 2/20 0.39
CYP1A2 P05177 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
SCHEMBL14539450 0.88 FDPS (0.53) FDPSALDH1A1MAPTHPGDNPSR1
SCHEMBL4290266 0.87 FDPS (0.63) FDPSALDH1A1MAPTHPGDNPSR1
SCHEMBL30834676 0.87 FDPS (0.63) FDPSALDH1A1MAPTHPGDNPSR1
SCHEMBL5448983 0.84 FDPS (0.46) FDPSALDH1A1MAPTHPGDNPSR1
SCHEMBL30270469 0.83 ALDH1A1 (0.50) FDPSALDH1A1MAPTHPGDNPSR1
SCHEMBL13220903 0.83 FDPS (0.77) FDPSALDH1A1MAPTHPGDNPSR1
SCHEMBL28801573 0.83 FDPS (0.50) FDPSALDH1A1MAPTHPGDNPSR1
SCHEMBL4278039 0.83 ALDH1A1 (0.57) FDPSESR1ALDH1A1MAPTHPGD
SCHEMBL26213507 0.83 ALDH1A1 (0.50) FDPSALDH1A1MAPTHPGDNPSR1
SCHEMBL5447154 0.82 FDPS (0.56) FDPSALDH1A1MAPTHPGDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022008475-A1 INDOLE DERIVATIVES AND USES THEREOF FOR TREATING A CANCER UNIVERSITE CLAUDE BERNARD LYON 1 (FR) 2022-01-13 WO disclosed
US-20070037846-A1 Pyrazolidinedione derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-15 US disclosed
CN-1812782-A Pyrazolidinedione derivatives and their use as platelet aggregation inhibitors ACTELION PHARMACEUTICALS LTD (CH) 2006-08-02 CN 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 FDPS 1728/4885ESR1 3485/4885ALDH1A1 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.