SCHEMBL5554733

SCHEMBL5554733

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 2/20 0.55
TDP1 Q9NUW8 1/20 0.50
PDE1A P54750 1/20 0.46
PDE1B Q01064 1/20 0.46
PDE1C Q14123 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.41
MCL1 Q07820 5/20 0.39
CTNNB1 P35222 1/20 0.39
BAD Q92934 2/20 0.39
TP53 P04637 1/20 0.39
MDM2 Q00987 1/20 0.39
PTGER1 P34995 2/20 0.38
PTGER4 P35408 2/20 0.38
PTGER3 P43115 2/20 0.38
PTGER2 P43116 2/20 0.38
P2RX3 P56373 1/20 0.38
PTGS2 P35354 1/20 0.38
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
ACMSD Q8TDX5 1/20 0.38

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
SCHEMBL5559527 0.85 BCL2L1 (0.54) BCL2L1PDE1APDE1BPDE1CMCL1
SCHEMBL5559504 0.83 BCL2L1 (0.74) BCL2L1TDP1PDE1APDE1BPDE1C
SCHEMBL5554382 0.82 BCL2L1 (0.50) BCL2L1PDE1APDE1BPDE1CMCL1
SCHEMBL5559016 0.78 BCL2L1 (0.53) BCL2L1PDE1APDE1BPDE1CMCL1
SCHEMBL5559498 0.77 BCL2L1 (0.46) BCL2L1PDE1APDE1BPDE1CMCL1
SCHEMBL14347691 0.77 BCL2L1 (0.71) BCL2L1PDE1APDE1BPDE1CMCL1
SCHEMBL19420098 0.76 BCL2L1 (0.75) BCL2L1TDP1PDE1APDE1BPDE1C
SCHEMBL19425571 0.74 BCL2L1 (0.83) BCL2L1TDP1PDE1APDE1BPDE1C
SCHEMBL17805815 0.73 BCL2L1 (0.84) BCL2L1PDE1APDE1BPDE1CMCL1
SCHEMBL14066554 0.72 BCL2L1 (0.56) BCL2L1PDE1APDE1BPDE1CMCL1

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 2807/4885TDP1 4107/4885PDE1A 4878/4885

“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.