SCHEMBL5423355

SCHEMBL5423355

COc1ccc(-c2c(C)c3ccc(O)cc3oc2=O)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.73
ERAP1 Q9NZ08 2/20 0.64
ABCB1 P08183 1/20 0.61
ATM Q13315 1/20 0.59
TLR9 Q9NR96 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
ESR1 P03372 3/20 0.57
ESR2 Q92731 3/20 0.57
PDK1 Q15118 1/20 0.57
PDK2 Q15119 1/20 0.57
HSD17B3 P37058 3/20 0.57
MAPT P10636 2/20 0.55
KDM4E B2RXH2 1/20 0.55
TP53 P04637 1/20 0.55
MAPK1 P28482 1/20 0.55
RAB9A P51151 1/20 0.55
HSD17B10 Q99714 1/20 0.55
FYN P06241 1/20 0.53
MEN1 O00255 1/20 0.53
CASP1 P29466 1/20 0.53

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
SCHEMBL5423277 0.90 FYN (0.62) NPC1ERAP1ABCB1ATMTLR9
SCHEMBL5427914 0.85 NPC1 (1.00) NPC1ERAP1ESR1ESR2HSD17B3
SCHEMBL5088627 0.84 ERAP1 (0.83) NPC1ERAP1TDP1ESR1ESR2
SCHEMBL5424607 0.82 MAOB (0.54) NPC1PDK1PDK2MAPTTP53
SCHEMBL6630357 0.81 PDK1 (0.59) NPC1ABCB1PDK1PDK2MAPT
SCHEMBL5647776 0.81 NPC1 (0.70) NPC1ERAP1TDP1ESR1ESR2
SCHEMBL7127360 0.79 ERAP1 (0.75) NPC1ERAP1ESR1ESR2HSD17B3
SCHEMBL7113502 0.79 ERAP1 (0.75) NPC1ERAP1TDP1ESR1ESR2
SCHEMBL1608015 0.79 ERAP1 (1.00) NPC1ERAP1ABCB1TDP1ESR1
SCHEMBL7171596 0.79 HSD17B3 (0.69) NPC1ERAP1ESR1ESR2HSD17B3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070254859-A1 Compounds exhibiting efflux inhibitor activity and composition and uses thereof EASTMAN CHEMICAL COMPANY 2007-11-01 US disclosed
WO-2007115181-A2 COMPOUNDS EXHIBITING EFFLUX INHIBITOR ACTIVITY AND COMPOSITIONS AND USES THEREOF EASTMAN CHEMICAL COMPANY (US) 2007-10-11 WO disclosed
US-7279470-B2 Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK A/S (DK) 2007-10-09 US disclosed
CN-1326519-C Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK AS (DK) 2007-07-18 CN disclosed
US-7067517-B2 Use of compounds for decreasing activity of hormone-sensitive lipase NERO NORDISK A/S (DK) 2006-06-27 US disclosed
CN-1602191-A Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK AS (DK) 2005-03-30 CN disclosed
EP-1458375-A2 COMPOSITIONS FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2004-09-22 EP disclosed
EP-1458374-A2 COMPOUNDS AND USES THEREOF FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2004-09-22 EP disclosed
US-20030166644-A1 Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK A/S (DK) 2003-09-04 US disclosed
US-20030166690-A1 Use of compounds for decreasing activity of hormone-sensitive NOVO NORDISK A/S (DK) 2003-09-04 US disclosed
WO-2003051841-A2 COMPOUNDS AND USES THEREOF FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2003-06-26 WO disclosed
WO-2003051842-A2 COMPOSITIONS DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2003-06-26 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-20070254859-A1 Compounds exhibiting efflux inhibitor activity and composition and uses thereof ABCC4, NCOA4, NR4A3 NPC1 362/4885ERAP1 2734/4885ABCB1 59/4885
US-20030166644-A1 Compounds and uses thereof for decreasing activity of hormone-sensitive lipase LIPE, PNLIP, LPL NPC1 814/4885ERAP1 571/4885ABCB1 3720/4885
US-20030166690-A1 Use of compounds for decreasing activity of hormone-sensitive LIPE, PNLIP, LPL NPC1 973/4885ERAP1 482/4885ABCB1 3473/4885

“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.