SCHEMBL5554775

SCHEMBL5554775

CC(C)Cc1ccccc1C(=O)c1ccc(OCC(=O)O)c(Cc2cccc3ccccc23)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 2/20 0.58
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CTSD P07339 1/20 0.44
TP53 P04637 1/20 0.44
MDM2 Q00987 1/20 0.44
PLA2G2A P14555 1/20 0.43
PLA2G1B P04054 3/20 0.42
MCL1 Q07820 1/20 0.41
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
PDE1C Q14123 1/20 0.41
FOS P01100 1/20 0.40
JUN P05412 1/20 0.40
ELANE P08246 4/20 0.40
F2 P00734 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
CYP3A4 P08684 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
SCHEMBL5554648 0.88 CYP2C9 (0.46) BCL2L1KDM4EALDH1A1CYP3A4CYP2C9
SCHEMBL5554103 0.84 BCL2L1 (0.67) BCL2L1KDM4EALDH1A1HPGDTDP1
SCHEMBL5559504 0.83 BCL2L1 (0.74) BCL2L1KDM4EALDH1A1HPGDTDP1
SCHEMBL5559075 0.82 BCL2L1 (0.58) BCL2L1KDM4EALDH1A1HPGDTDP1
SCHEMBL5554198 0.80 BCL2L1 (0.56) BCL2L1KDM4EALDH1A1HPGDTDP1
SCHEMBL5560834 0.77 BCL2L1 (0.51) BCL2L1KDM4EALDH1A1HPGDTDP1
SCHEMBL19420098 0.76 BCL2L1 (0.75) BCL2L1KDM4EALDH1A1HPGDTDP1
SCHEMBL19425571 0.74 BCL2L1 (0.83) BCL2L1KDM4EALDH1A1HPGDTDP1
SCHEMBL8736604 0.74 TDP1 (0.53) BCL2L1KDM4EALDH1A1HPGDTDP1
SCHEMBL254749 0.74 BCL2L1 (1.00) BCL2L1KDM4EALDH1A1HPGDTDP1

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 2807/4885KDM4E 2338/4885ALDH1A1 1251/4885

“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.