SCHEMBL5559504

SCHEMBL5559504

CC(C)Cc1ccccc1-c1ccc(OCC(=O)O)c(Cc2cccc3ccccc23)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 3/20 0.74
TP53 P04637 1/20 0.58
MDM2 Q00987 1/20 0.58
MCL1 Q07820 3/20 0.55
PDE1A P54750 2/20 0.54
PDE1B Q01064 2/20 0.54
PDE1C Q14123 2/20 0.54
BCL2L11 O43521 1/20 0.51
BAK1 Q16611 1/20 0.51
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PLA2G1B P04054 4/20 0.45
PLA2G2A P14555 2/20 0.44
PLA2G2F Q9BZM2 2/20 0.43
PLA2G10 O15496 1/20 0.43
PLA2G2E Q9NZK7 1/20 0.43
PLA2G2D Q9UNK4 1/20 0.43
CTSD P07339 1/20 0.42

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
SCHEMBL19420098 0.89 BCL2L1 (0.75) BCL2L1TP53MDM2MCL1PDE1A
SCHEMBL19425571 0.86 BCL2L1 (0.83) BCL2L1TP53MDM2MCL1PDE1A
SCHEMBL254749 0.86 BCL2L1 (1.00) BCL2L1TP53MDM2MCL1PDE1A
SCHEMBL5554103 0.84 BCL2L1 (0.67) BCL2L1TP53MDM2MCL1PDE1A
SCHEMBL5559016 0.84 BCL2L1 (0.53) BCL2L1TP53MDM2MCL1PDE1A
SCHEMBL5554733 0.83 BCL2L1 (0.55) BCL2L1TP53MDM2MCL1PDE1A
SCHEMBL5554775 0.83 BCL2L1 (0.58) BCL2L1TP53MDM2MCL1PDE1A
SCHEMBL5559075 0.83 BCL2L1 (0.58) BCL2L1TP53MDM2MCL1PDE1A
SCHEMBL5559527 0.82 BCL2L1 (0.54) BCL2L1MCL1PDE1APDE1BPDE1C
SCHEMBL5554198 0.81 BCL2L1 (0.56) BCL2L1TP53MDM2MCL1PDE1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1594512-A4 COMPOUNDS FOR THE TREATMENT OF VIRAL INFECTION KEMIA INC (US) 2007-07-11 EP disclosed
EP-1594512-A2 COMPOUNDS FOR THE TREATMENT OF VIRAL INFECTION Kemia, INC. (US) 2005-11-16 EP disclosed
US-20040248850-A1 Compounds for the treatment of HIV infection KEMIA, INC. 2004-12-09 US disclosed
WO-2004071426-A2 COMPOUNDS FOR THE TREATMENT OF VIRAL INFECTION KEMIA INC. (US) 2004-08-26 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-20040248850-A1 Compounds for the treatment of HIV infection CCR5, CD4, HAVCR2 BCL2L1 2807/4885TP53 3139/4885MDM2 4803/4885

“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.