SCHEMBL792813

SCHEMBL792813

CCOC(=O)CCn1c(-c2ccc(Cl)cc2N)c(C2CCCCC2)c2ccc(C)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 2/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CNR2 P34972 1/20 0.35
CXCR3 P49682 1/20 0.35
BACE1 P56817 2/20 0.34
ALOX5AP P20292 1/20 0.33
FEN1 P39748 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
SCHEMBL792852 0.90 POLB (0.38) POLBKDM4EHSD17B10BACE1
SCHEMBL772121 0.90 ALOX15 (0.37) TSHRRAB9ALMNANPC1POLB
SCHEMBL10283556 0.88 P2RX3 (0.33) TSHRRAB9ALMNANPC1POLB
SCHEMBL771574 0.79 SCN9A (0.37) RAB9ALMNANPC1POLBALDH1A1
SCHEMBL792427 0.79 CNR2 (0.41) RAB9ALMNAALDH1A1KDM4EMEN1
SCHEMBL10283234 0.78 PTGDR2 (0.35) RAB9APOLBALDH1A1KDM4ECYP3A4
SCHEMBL792566 0.77 TP53 (0.35) LMNAALDH1A1KDM4ECYP1A2CNR2
SCHEMBL13285760 0.71 PRKCA (0.36) NPC1CYP3A4CYP2C19
SCHEMBL773522 0.71 ALDH1A1 (0.38) TSHRRAB9ALMNANPC1ALDH1A1
SCHEMBL10283174 0.69 TP53 (0.32) HSD17B10

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 TSHR 4089/4885RAB9A 2410/4885LMNA 4323/4885

“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.