SCHEMBL12428008

SCHEMBL12428008

CCOC(=O)Cc1cc(Br)c(O)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.52
TRPV1 Q8NER1 1/20 0.50
GAA P10253 4/20 0.49
ALDH1A1 P00352 3/20 0.49
PTGS2 P35354 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ABL1 P00519 1/20 0.45
RIN1 Q13671 1/20 0.45
PTPN1 P18031 1/20 0.45
POLB P06746 2/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.42
ALOX15 P16050 2/20 0.42
HSD17B10 Q99714 2/20 0.42
USP2 O75604 1/20 0.42
ALOX12 P18054 1/20 0.42
HPGD P15428 1/20 0.42
GFER P55789 1/20 0.42

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
SCHEMBL7346341 0.88 PTP4A1 (0.49) GAAALDH1A1PTPN1MAPTALOX15
SCHEMBL1525224 0.86 HSP90AB1 (0.54) ALOX5TRPV1GAAALDH1A1PTGS2
SCHEMBL3681959 0.86 ALOX5 (0.55) ALOX5TRPV1GAAALDH1A1PTGS2
SCHEMBL11217956 0.82 ALOX5 (0.52) ALOX5GAAALDH1A1KDM4EPOLB
SCHEMBL1525495 0.81 GAA (0.57) ALOX5TRPV1GAAALDH1A1PTGS2
SCHEMBL3655417 0.81 THRB (0.45) GAAMAPTALOX15HSD17B10TSHR
SCHEMBL134808 0.81 ABL1 (0.59) GAAALDH1A1KDM4EABL1RIN1
SCHEMBL15056738 0.81 ABL1 (0.56) ALOX5GAAALDH1A1KDM4EABL1
SCHEMBL31053236 0.81 ABL1 (0.56) ALOX5GAAALDH1A1KDM4EABL1
SCHEMBL4807277 0.80 LMNA (0.58) ALOX5GAAALDH1A1LMNAMAPT

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-20130150350-A1 Derivatives of 1-Phenyl-1,5-Dihydro-Benzo[B] [1,4]Diazepine-2,4-Dione as Inhibitors of HIV Replication BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-13 US disclosed
WO-2011100838-A1 DERIVATIVES OF 1-PHENYL-1,5-DIHYDRO-BENZO[B] [1.4]DIAZEPINE-2.4-DIONE AS INHIBITORS OF HIV REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-25 WO 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-20130150350-A1 Derivatives of 1-Phenyl-1,5-Dihydro-Benzo[B] [1,4]Diazepine-2,4-Dione as Inhibitors of HIV Replication MED1, ZC3HAV1, BET1 ALOX5 3755/4885TRPV1 4617/4885GAA 2328/4885

“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.