SCHEMBL6504142

SCHEMBL6504142

COc1cccc(OC)c1Oc1cccc(C=O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
POLB P06746 1/20 0.56
TTR P02766 1/20 0.54
TDP1 Q9NUW8 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
TSHR P16473 1/20 0.49
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47
TUBB4B P68371 1/20 0.47
TUBB3 Q13509 1/20 0.47
TUBB2A Q13885 1/20 0.47
TUBB8 Q3ZCM7 1/20 0.47
TUBA3E Q6PEY2 1/20 0.47
TUBA1A Q71U36 1/20 0.47
TUBA1C Q9BQE3 1/20 0.47
TUBB6 Q9BUF5 1/20 0.47

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
SCHEMBL2075852 0.87 TTR (0.67) ALDH1A1POLBTTRTDP1NPC1
SCHEMBL17508212 0.83 ALDH1A1 (0.57) ALDH1A1POLBTTRTDP1TSHR
SCHEMBL21328349 0.82 TTR (0.69) ALDH1A1POLBTTRTDP1NPC1
SCHEMBL17099392 0.81 NPC1 (0.58) ALDH1A1POLBTTRTDP1NPC1
SCHEMBL6508857 0.80 TTR (0.62) ALDH1A1POLBTTRTDP1NPC1
SCHEMBL7684603 0.80 NPC1 (0.65) ALDH1A1POLBTDP1NPC1RAB9A
SCHEMBL29399968 0.80 NPC1 (0.65) ALDH1A1POLBTDP1NPC1RAB9A
SCHEMBL23188 0.80 NPC1 (0.65) ALDH1A1POLBTDP1NPC1RAB9A
SCHEMBL6849018 0.80 SRC (0.60) ALDH1A1POLBTTRTDP1NPC1
SCHEMBL30631693 0.80 SRC (0.60) ALDH1A1POLBTTRTDP1NPC1

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-20050143372-A1 Compounds, pharmaceutical compositions and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. 2005-06-30 US disclosed
US-20050032793-A1 2-amino-benzoxazinones for the treatment of viral infections G.D. SEARLE & CO. (US) 2005-02-10 US disclosed
US-6683077-B2 4H-3,1-BENZOXAZIN-4-ONE COMPOUNDS OF GIVEN FORMULA; HERPES INFECTIONS; ASSEMBLIN PROTEASE INHIBITORS G.D. SEARLE & CO. 2004-01-27 US disclosed
US-20030022895-A1 2-Amino-benzoxazinones for the treatment of viral infections G.D. SEARLE & CO. 2003-01-30 US disclosed
US-6380189-B1 FOR TREATING HERPES-RELATED DISORDERS G.D. SEARLE & CO. 2002-04-30 US disclosed
EP-0828721-B1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF VIRAL INFECTIONS SEARLE & CO (US) 2001-11-14 EP disclosed
EP-1122245-A2 2-Amino-benzoxazinones for the treatment of viral infections G.D. Searle & Co. (US) 2001-08-08 EP disclosed
WO-1996037485-A1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF VIRAL INFECTIONS G.D. SEARLE & CO. (US) 1996-11-28 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 (3 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-20030022895-A1 2-Amino-benzoxazinones for the treatment of viral infections IFNAR1, IL4I1, HAX1 ALDH1A1 1022/4885POLB 2432/4885TTR 2531/4885
US-20050032793-A1 2-amino-benzoxazinones for the treatment of viral infections IFNAR1, IL4I1, ACE2 ALDH1A1 1858/4885POLB 2489/4885TTR 2085/4885
US-20050143372-A1 Compounds, pharmaceutical compositions and methods of use therefor CCR8, CCL11, CCR5 ALDH1A1 1071/4885POLB 3458/4885TTR 4487/4885

“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.