SCHEMBL771437

SCHEMBL771437

CCOC(=O)Cn1c(Br)c(C2CCCCC2)c2ccc(C(=O)OCC)nc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 3/20 0.39
POLB P06746 2/20 0.39
CYP1A2 P05177 2/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 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
SMN1; SMN2 Q16637 1/20 0.37
THRB P10828 1/20 0.36
MAPK1 P28482 2/20 0.36
CSNK1D P48730 1/20 0.36
TNF P01375 1/20 0.36
LITAF Q99732 1/20 0.36
ELANE P08246 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
SCHEMBL792778 0.88 LMNA (0.40) ALDH1A1KDM4EL3MBTL1LMNAPOLB
SCHEMBL12597539 0.86 CYP1A2 (0.42) ALDH1A1LMNACYP1A2SMN1; SMN2CSNK1D
SCHEMBL10283173 0.84 ALDH1A1 (0.37) ALDH1A1KDM4EL3MBTL1LMNAPOLB
SCHEMBL14606917 0.84 CCR3 (0.37) ALDH1A1CYP1A2HPGDSMN1; SMN2CSNK1D
SCHEMBL5442593 0.81 CDK5 (0.36) ALDH1A1KDM4EPOLBTDP1
SCHEMBL773607 0.81 ADORA3 (0.39) ALDH1A1LMNACYP1A2MAPK1CSNK1D
SCHEMBL771788 0.78 NPC1 (0.39) ALDH1A1KDM4EL3MBTL1LMNAPOLB
SCHEMBL771438 0.77 CYP1A2 (0.51) ALDH1A1KDM4EL3MBTL1LMNAPOLB
SCHEMBL4821597 0.76 ALDH1A1 (0.43) ALDH1A1KDM4EL3MBTL1LMNATSHR
SCHEMBL12597543 0.74 GABRA2 (0.45) ALDH1A1KDM4ELMNACYP1A2TSHR

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 8 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
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP disclosed
EP-1719773-B1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC (JP) 2009-04-15 EP 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
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
EP-1719773-A1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2006-11-08 EP 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 ALDH1A1 750/4885KDM4E 2725/4885L3MBTL1 4435/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 ALDH1A1 750/4885KDM4E 2725/4885L3MBTL1 4435/4885

“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.