SCHEMBL803801

SCHEMBL803801

COOCc1ccc2c(C3CCCCC3)c(-c3ccccc3C(=O)NCCO)[nH]c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 4/20 0.36
CDK4 P11802 4/20 0.35
CCND1 P24385 4/20 0.35
ALDH1A1 P00352 3/20 0.35
HTT P42858 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
DVL1 O14640 1/20 0.34
DVL3 Q92997 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
MAPK1 P28482 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL13965471 0.87 TUBB4A (0.33) ALDH1A1KDM4EDVL1DVL3HDAC1
SCHEMBL772333 0.85 PARP1 (0.44) CDK4CCND1ALDH1A1HTTKDM4E
SCHEMBL803746 0.82 HTR2A (0.32)
SCHEMBL803802 0.81 BCHE (0.36) ALDH1A1HDAC1HDAC8HDAC6
SCHEMBL803590 0.81 PARP14 (0.36) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL13285988 0.80 TLR9 (0.37)
SCHEMBL13285905 0.80 PARP14 (0.41) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL803904 0.79 CDK4 (0.32) CDK4CCND1
SCHEMBL804035 0.79 HTR2A (0.34)
SCHEMBL13285903 0.76 ESR1 (0.33) ALDH1A1HTTKDM4EHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 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 (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-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 ABCG2 2671/4885CDK4 507/4885CCND1 2120/4885

“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.