SCHEMBL804104

SCHEMBL804104

COOCc1ccc2c(C3CCCCC3)c(-c3ccccc3CN(CCO)C(=O)OC(C)(C)C)[nH]c2c1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MLNR O43193 6/20 0.34
HDAC1 Q13547 3/20 0.34
HDAC3 O15379 2/20 0.34
HDAC2 Q92769 2/20 0.34
NCOR2 Q9Y618 2/20 0.34
KDM4E B2RXH2 2/20 0.32
CYP3A4 P08684 1/20 0.32
GHSR Q92847 1/20 0.32
SSTR4 P31391 1/20 0.31
HTR2C P28335 1/20 0.31
SLC6A4 P31645 1/20 0.31
TLR9 Q9NR96 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
GUSB P08236 1/20 0.30
ALDH1A1 P00352 2/20 0.30
ALOX15 P16050 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL12510440 0.88 KDM4E (0.40) HDAC1HDAC3HDAC2NCOR2KDM4E
SCHEMBL774821 0.86 PARP1 (0.39) HDAC1HDAC3HDAC2NCOR2KDM4E
SCHEMBL803746 0.82 HTR2A (0.32) HTR2C
SCHEMBL10283239 0.77 HTR2A (0.32) HTR2C
SCHEMBL13965471 0.77 TUBB4A (0.33) HDAC1KDM4EHTR2CALDH1A1ALOX15
SCHEMBL771440 0.77 PARP1 (0.36) HDAC1HDAC3HDAC2NCOR2KDM4E
SCHEMBL803802 0.77 BCHE (0.36) HDAC1HTR2CALDH1A1ALOX15
SCHEMBL803801 0.76 ABCG2 (0.36) HDAC1KDM4EALDH1A1HPGD
SCHEMBL803904 0.75 CDK4 (0.32)
SCHEMBL804035 0.75 HTR2A (0.34) HTR2CTLR9TLR7

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 3 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
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP 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 MLNR 3713/4885HDAC1 182/4885HDAC3 428/4885

“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.