SCHEMBL792852

SCHEMBL792852

Cc1ccc2c(C3CCCCC3)c(-c3ccc(Cl)cc3N)n(CCC(=O)O)c2c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
USP2 O75604 1/20 0.38
KMO O15229 2/20 0.38
PTGDR2 Q9Y5Y4 7/20 0.38
BCL2L1 Q07817 1/20 0.37
MCL1 Q07820 1/20 0.37
FABP4 P15090 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 2/20 0.35
BAZ2B Q9UIF8 1/20 0.35
BACE1 P56817 1/20 0.34
PTGDR Q13258 2/20 0.34
PTGER2 P43116 1/20 0.34
PTGS1 P23219 1/20 0.34

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
SCHEMBL792813 0.90 TSHR (0.36) POLBKDM4EHSD17B10BACE1
SCHEMBL771574 0.87 SCN9A (0.37) POLBUSP2PTGDR2BCL2L1MCL1
SCHEMBL10283234 0.86 PTGDR2 (0.35) POLBUSP2KMOPTGDR2BCL2L1
SCHEMBL792566 0.80 TP53 (0.35) PTGDR2KDM4ETP53
SCHEMBL772121 0.79 ALOX15 (0.37) POLBPTGDR2KDM4EHSD17B10PTGDR
SCHEMBL10283556 0.78 P2RX3 (0.33) POLBPTGDR2KDM4EHSD17B10BACE1
SCHEMBL3571468 0.75 FABP4 (0.41) POLBUSP2FABP4KDM4E
SCHEMBL13285760 0.74 PRKCA (0.36) PTGDR2TP53
SCHEMBL773522 0.71 ALDH1A1 (0.38) KDM4EHSD17B10L3MBTL1
SCHEMBL792694 0.71 ESR1 (0.38) KDM4ETP53

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 POLB 77/4885USP2 3512/4885KMO 4624/4885

“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.