SCHEMBL792776

SCHEMBL792776

CCOC(=O)Cn1cc(C2CCCCC2)c2ccc(CC)nc21

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.38
JAK1 P23458 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 3/20 0.37
ALDH1A1 P00352 4/20 0.36
POLB P06746 2/20 0.36
MITF O75030 1/20 0.36
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 1/20 0.36
JAK3 P52333 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
TNF P01375 1/20 0.35
LITAF Q99732 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL10283172 0.90 MITF (0.36) JAK2JAK1MEN1KMT2AMAPT
SCHEMBL771788 0.86 NPC1 (0.39) JAK2JAK1MEN1KMT2AMAPT
SCHEMBL792778 0.77 LMNA (0.40) ALDH1A1POLBLMNAL3MBTL1KDM4E
SCHEMBL13803985 0.74 MAPT (0.46) JAK2JAK1MEN1KMT2AMAPT
SCHEMBL804189 0.74 POLB (0.40) MAPTALDH1A1POLB
SCHEMBL792773 0.74 PTGDR (0.36) MAPTALDH1A1POLBCCNE1CDK2
SCHEMBL5447286 0.71 POLB (0.36) KMT2AMAPTPOLBTDP1
SCHEMBL12597538 0.70 CYP1A2 (0.42) KMT2AALDH1A1POLBLMNAKDM4E
SCHEMBL14606916 0.70 CNR1 (0.40) KMT2ACCNE1CDK2
SCHEMBL3788411 0.68 CAMKK2 (0.42) CCNE1CDK2

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 JAK2 14/4885JAK1 174/4885MEN1 4753/4885

“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.