SCHEMBL791546

SCHEMBL791546

Cc1ccccc1/C=C/C(=O)N1CCCCC1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.65
ALDH1A1 P00352 6/20 0.62
MAPT P10636 4/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
GPR183 P32249 1/20 0.58
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
AR P10275 1/20 0.51
KDM4E B2RXH2 3/20 0.50
APP P05067 1/20 0.50
POLB P06746 2/20 0.49
PELI1 Q96FA3 2/20 0.48
TRPV1 Q8NER1 1/20 0.48

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
SCHEMBL11477379 0.85 GPR183 (0.56) HPGDALDH1A1MAPTL3MBTL1GPR183
SCHEMBL11477381 0.85 GPR183 (0.56) HPGDALDH1A1MAPTL3MBTL1GPR183
SCHEMBL765989 0.83 ALDH1A1 (0.63) HPGDALDH1A1MAPTL3MBTL1MEN1
SCHEMBL12714226 0.83 ALDH1A1 (0.63) HPGDALDH1A1MAPTL3MBTL1MEN1
SCHEMBL15453263 0.83 ALDH1A1 (0.63) HPGDALDH1A1MAPTL3MBTL1MEN1
SCHEMBL29355112 0.83 ALDH1A1 (0.63) HPGDALDH1A1MAPTL3MBTL1MEN1
SCHEMBL15674748 0.81 ALDH1A1 (0.62) HPGDALDH1A1MAPTL3MBTL1MEN1
SCHEMBL15674746 0.81 ALDH1A1 (0.62) HPGDALDH1A1MAPTL3MBTL1MEN1
SCHEMBL12714221 0.81 HPGD (0.64) HPGDALDH1A1MAPTL3MBTL1MEN1
SCHEMBL3112643 0.81 HPGD (0.97) HPGDALDH1A1MAPTL3MBTL1KMT2A

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 6 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-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
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 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 (2 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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 HPGD 2752/4885ALDH1A1 750/4885MAPT 3389/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 HPGD 2752/4885ALDH1A1 750/4885MAPT 3389/4885

“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.