SCHEMBL5447154

SCHEMBL5447154

CCCOc1ccc(C=O)cc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.56
ALDH1A1 P00352 11/20 0.48
MAPT P10636 6/20 0.48
HPGD P15428 6/20 0.48
L3MBTL1 Q9Y468 4/20 0.48
TDP1 Q9NUW8 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
TSHR P16473 1/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
ALOX12 P18054 1/20 0.43
MAPK1 P28482 1/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL5440983 0.92 FDPS (0.54) FDPSALDH1A1MAPTHPGDL3MBTL1
SCHEMBL5449465 0.90 FDPS (0.53) FDPSALDH1A1MAPTHPGDL3MBTL1
SCHEMBL5454603 0.89 FDPS (0.51) FDPSALDH1A1MAPTHPGDL3MBTL1
SCHEMBL3904584 0.89 FDPS (0.51) FDPSALDH1A1MAPTHPGDL3MBTL1
SCHEMBL3431684 0.86 FDPS (0.56) FDPSALDH1A1MAPTHPGDL3MBTL1
SCHEMBL3721435 0.86 ALDH1A1 (0.62) FDPSALDH1A1MAPTHPGDL3MBTL1
SCHEMBL5882634 0.86 FDPS (0.69) FDPSALDH1A1MAPTHPGDL3MBTL1
SCHEMBL23442933 0.85 FDPS (0.54) FDPSALDH1A1MAPTHPGDL3MBTL1
SCHEMBL5455295 0.85 FDPS (0.63) FDPSALDH1A1MAPTHPGDL3MBTL1
SCHEMBL378503 0.85 FDPS (0.54) FDPSALDH1A1MAPTHPGDL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042858-A1 LACTAM CONTAINING HCV INHIBITORS BARSANTI PAUL 2009-02-12 US disclosed
US-20090042858-A1 LACTAM CONTAINING HCV INHIBITORS BARSANTI PAUL 2009-02-12 US disclosed
WO-2007120160-A2 LACTAM CONTAINING HCV INHIBITORS NOVARTIS AG (CH) 2007-10-25 WO disclosed
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
US-4024274-A Benzylamine derivatives and process for preparing them HOECHST AKTIENGESELLSCHAFT (DT) 1977-05-17 US 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 (2 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 1728/4885ALDH1A1 1198/4885MAPT 4597/4885
US-20090042858-A1 LACTAM CONTAINING HCV INHIBITORS SARS1, ZC3HAV1, ACE2 FDPS 453/4885ALDH1A1 2867/4885MAPT 4378/4885

“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.