SCHEMBL792778

SCHEMBL792778

CCOC(=O)Cn1c(Br)c(C2CCCCC2)c2ccc(CC)nc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
POLB P06746 2/20 0.40
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TSHR P16473 3/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HPGD P15428 1/20 0.38
SAE1 Q9UBE0 1/20 0.38
UBA2 Q9UBT2 1/20 0.38
THRB P10828 1/20 0.36
MAPK1 P28482 2/20 0.36
TNF P01375 1/20 0.36
LITAF Q99732 1/20 0.36
CCR3 P51677 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL10283173 0.90 ALDH1A1 (0.37) LMNAPOLBALDH1A1KDM4EL3MBTL1
SCHEMBL771437 0.88 ALDH1A1 (0.39) LMNAPOLBALDH1A1KDM4EL3MBTL1
SCHEMBL792776 0.77 JAK2 (0.38) LMNAPOLBALDH1A1KDM4EL3MBTL1
SCHEMBL4821597 0.76 ALDH1A1 (0.43) LMNAALDH1A1KDM4EL3MBTL1TSHR
SCHEMBL14435342 0.74 ALDH1A1 (0.41) LMNAALDH1A1KDM4EL3MBTL1TSHR
SCHEMBL792765 0.73 LTA4H (0.34) ALDH1A1
SCHEMBL5442593 0.73 CDK5 (0.36) POLBALDH1A1KDM4ETDP1
SCHEMBL12597539 0.73 CYP1A2 (0.42) LMNAALDH1A1CYP1A2NPSR1
SCHEMBL14606917 0.72 CCR3 (0.37) ALDH1A1CYP1A2HPGDCCR3NPSR1
SCHEMBL792427 0.70 CNR2 (0.41) LMNAALDH1A1KDM4EL3MBTL1HPGD

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 LMNA 4323/4885POLB 77/4885ALDH1A1 750/4885

“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.