SCHEMBL8007602

SCHEMBL8007602

COOc1c(C=O)cccc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.61
TLR2 O60603 1/20 0.58
ERN1 O75460 1/20 0.58
TLR1 Q15399 1/20 0.58
TLR6 Q9Y2C9 1/20 0.58
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
NFE2L2 Q16236 5/20 0.47
ALDH1A1 P00352 4/20 0.46
CYP1A2 P05177 3/20 0.46
LMNA P02545 2/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
PRMT1 Q99873 1/20 0.45
KDM4E B2RXH2 2/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 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
O-Veratraldehyde SCHEMBL319070 0.86 SRC (0.67) SRCTLR2ERN1TLR1TLR6
O-Veratraldehyde SCHEMBL29923149 0.86 SRC (0.67) SRCTLR2ERN1TLR1TLR6
O-Veratraldehyde SCHEMBL28289918 0.86 SRC (0.67) SRCTLR2ERN1TLR1TLR6
SCHEMBL10434914 0.85 SRC (0.65) SRCTLR2ERN1TLR1TLR6
O-Veratraldehyde SCHEMBL28285734 0.82 SRC (0.58) SRCTLR2ERN1TLR1TLR6
SCHEMBL12904379 0.81 SRC (0.61) SRCTLR2ERN1TLR1TLR6
SCHEMBL28023292 0.81 SRC (0.61) SRCTLR2ERN1TLR1TLR6
SCHEMBL11039664 0.81 SRC (0.61) SRCTLR2ERN1TLR1TLR6
SCHEMBL10372830 0.81 SRC (0.56) SRCTLR2ERN1TLR1TLR6
O-Veratraldehyde SCHEMBL8706125 0.80 SRC (0.59) SRCTLR2ERN1TLR1TLR6

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10377699-B2 Daptomycin analogues and a method for the preparation of daptomycin or a daptomycin analogue THE UNIVERSITY OF HONG KONG (CN) 2019-08-13 US disclosed
US-20150126707-A1 DAPTOMYCIN ANALOGUES AND A METHOD FOR THE PREPARATION OF DAPTOMYCIN OR A DAPTOMYCIN ANALOGUE THE UNIVERSITY OF HONG KONG (CN) 2015-05-07 US disclosed
CN-101768065-B Method for preparing 6-dimethoxysalicylaldehyde CHENGDU CHEMPARTNER CO LTD 2014-01-29 CN disclosed
CN-101768065-B Method for preparing 6-dimethoxysalicylaldehyde CHENGDU CHEMPARTNER CO LTD 2014-01-29 CN disclosed
CN-102712638-A New phenylhydrazone derivatives and their use as pharmaceuticals ARTERIA CORP 2012-10-03 CN disclosed
CN-101304994-B 3-aryl-isoxazole-4-carbonyl-benzofuran derivatives HOFFMANN LA ROCHE 2011-06-29 CN disclosed
CN-101768065-A Method for preparing 6-dimethoxysalicylaldehyde HUIKAI MEDICAL DEV CHENGDU CO 2010-07-07 CN disclosed
CN-101768065-A Method for preparing 6-dimethoxysalicylaldehyde HUIKAI MEDICAL DEV CHENGDU CO 2010-07-07 CN disclosed
CN-101304994-A 3-aryl-isoxazole-4-carbonyl-benzofuran derivatives HOFFMANN LA ROCHE (CH) 2008-11-12 CN disclosed
WO-2000015605-A2 CHIRAL CYANOAMINES AND METHODS OF PREPARATION TRUSTEES OF BOSTON COLLEGE (US) 2000-03-23 WO disclosed
WO-1998010286-A1 METHODS FOR PROCESSING CHEMICAL COMPOUNDS HAVING REACTIVE FUNCTIONAL GROUPS ISIS PHARMACEUTICALS, INC. (US) 1998-03-12 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 (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-10377699-B2 Daptomycin analogues and a method for the preparation of daptomycin or a daptomycin analogue SCD, SCD5, FASN SRC 715/4885TLR2 776/4885ERN1 2339/4885
US-20150126707-A1 DAPTOMYCIN ANALOGUES AND A METHOD FOR THE PREPARATION OF DAPTOMYCIN OR A DAPTOMYCIN ANALOGUE SCD, SCD5, FASN SRC 726/4885TLR2 790/4885ERN1 2266/4885

“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.