SCHEMBL5559016

SCHEMBL5559016

COc1ccc(-c2ccccc2CC(C)C)cc1Cc1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.53
CETP P11597 1/20 0.45
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
MAPK1 P28482 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
CNR2 P34972 2/20 0.40
SMPD1 P17405 1/20 0.40
PDE1A P54750 1/20 0.39
PDE1B Q01064 1/20 0.39
PDE1C Q14123 1/20 0.39
TP53 P04637 1/20 0.38
MDM2 Q00987 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
S1PR1 P21453 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL5559504 0.84 BCL2L1 (0.74) BCL2L1ALDH1A1KDM4EPDE1APDE1B
SCHEMBL4651677 0.83 BCL2L1 (0.58) BCL2L1CETPALDH1A1KDM4ELMNA
SCHEMBL4652440 0.83 BCL2L1 (0.58) BCL2L1CETPALDH1A1KDM4ELMNA
SCHEMBL5554382 0.83 BCL2L1 (0.50) BCL2L1CETPPDE1APDE1BPDE1C
SCHEMBL5559149 0.82 BCL2L1 (0.47) BCL2L1CETPALDH1A1KDM4ELMNA
SCHEMBL4652272 0.80 BCL2L1 (0.62) BCL2L1CETPALDH1A1KDM4ELMNA
SCHEMBL5559498 0.80 BCL2L1 (0.46) BCL2L1ALDH1A1LMNAPDE1APDE1B
SCHEMBL17805815 0.80 BCL2L1 (0.84) BCL2L1SMPD1PDE1APDE1BPDE1C
SCHEMBL5559527 0.79 BCL2L1 (0.54) BCL2L1ALDH1A1KDM4EPDE1APDE1B
SCHEMBL6798915 0.79 BCL2L1 (0.48) BCL2L1ALDH1A1KDM4ECNR2PDE1A

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 2807/4885CETP 322/4885ALDH1A1 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.