SCHEMBL3899072

SCHEMBL3899072

CC(=O)N(O)CC=Cc1cccc(Oc2ccccc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 1.00
PTGS1 P23219 2/20 1.00
PTGS2 P35354 2/20 1.00
ALOX5AP P20292 1/20 1.00
EPOR P19235 8/20 0.68
KDM5A P29375 1/20 0.47
BACE1 P56817 1/20 0.47
TLR4 O00206 1/20 0.47
TLR2 O60603 1/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL3903195 1.00 ALOX5 (1.00) ALOX5PTGS1PTGS2ALOX5APEPOR
SCHEMBL29808733 1.00 ALOX5 (1.00) ALOX5PTGS1PTGS2ALOX5APEPOR
SCHEMBL9707330 0.82 ALOX5 (0.69) ALOX5PTGS1PTGS2ALOX5APEPOR
SCHEMBL26357305 0.80 ALOX5 (0.67) ALOX5PTGS1PTGS2ALOX5APEPOR
SCHEMBL9707266 0.76 ALOX5 (0.61) ALOX5PTGS1PTGS2ALOX5APEPOR
SCHEMBL9781059 0.76 ALOX5 (0.70) ALOX5PTGS1PTGS2ALOX5APEPOR
SCHEMBL9781055 0.76 ALOX5 (0.70) ALOX5PTGS1PTGS2ALOX5APEPOR
SCHEMBL6008832 0.75 ALOX5 (0.66) ALOX5PTGS1PTGS2ALOX5APEPOR
SCHEMBL6008836 0.75 ALOX5 (0.66) ALOX5PTGS1PTGS2ALOX5APEPOR
SCHEMBL6008840 0.75 ALOX5 (0.66) ALOX5PTGS1PTGS2ALOX5APEPOR

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572185-A4 LIPOXYGENASE INHIBITORS AS HYPOLIPIDEMIC AND ANTI-HYPERTENSIVE AGENTS INSMED INC (US) 2009-02-25 EP claimed
EP-1572185-A1 LIPOXYGENASE INHIBITORS AS HYPOLIPIDEMIC AND ANTI-HYPERTENSIVE AGENTS Insmed Incorporated (US) 2005-09-14 EP claimed
US-20040198800-A1 Lipoxygenase inhibitors as hypolipidemic and anti-hypertensive agents INSMED INCORPORATED 2004-10-07 US claimed
WO-2004058240-A1 LIPOXYGENASE INHIBITORS AS HYPOLIPIDEMIC AND ANTI-HYPERTENSIVE AGENTS INSMED INCORPORATED (US) 2004-07-15 WO claimed
EP-0196184-B1 ARYL DERIVATIVES THE WELLCOME FOUNDATION LIMITED (GB) 1992-09-16 EP claimed
US-4977188-A Hydroamic acid derivatives BURROUGHS WELLCOME CO. (US) 1990-12-11 US claimed
WO-1990001929-A1 NEW MEDICAL USE THE WELLCOME FOUNDATION LIMITED (GB) 1990-03-08 WO claimed
US-4738986-A CYCLOOXYGENASE, LIDOXYGENASE INHIBITORS BURROUGHS WELLCOME CO. (US) 1988-04-19 US claimed
EP-0196184-A2 Aryl derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1986-10-01 EP claimed
JP-6183960-A None JP disclosed
EP-3341366-A1 TOCOTRIENOL DERIVATIVES, PHARMACEUTICAL COMPOSITION AND METHOD OF USE IN 5-LIPOXYGENASE RELATED DISEASES Université d'Angers (FR) 2018-07-04 EP disclosed
WO-2017032881-A1 TOCOTRIENOL DERIVATIVES, PHARMACEUTICAL COMPOSITION AND METHOD OF USE IN 5-LIPOXYGENASE RELATED DISEASES Université d'Angers (FR) 2017-03-02 WO disclosed
WO-2014176460-A1 METHODS OF TREATING BEHAVIORIAL AND/OR MENTAL DISORDERS CHAU DAVID T (US) 2014-10-30 WO disclosed
US-8486922-B2 Composition CHEN CHIEN-HUNG (TW) 2013-07-16 US disclosed
US-4977188-A Hydroamic acid derivatives BURROUGHS WELLCOME CO. (US) 1990-12-11 US disclosed
WO-1990001929-A1 NEW MEDICAL USE THE WELLCOME FOUNDATION LIMITED (GB) 1990-03-08 WO disclosed
EP-0299761-A1 Anti-inflammatory aryl derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1989-01-18 EP disclosed
US-4738986-A CYCLOOXYGENASE, LIDOXYGENASE INHIBITORS BURROUGHS WELLCOME CO. (US) 1988-04-19 US disclosed
US-4738986-A CYCLOOXYGENASE, LIDOXYGENASE INHIBITORS BURROUGHS WELLCOME CO. (US) 1988-04-19 US disclosed
EP-0196184-A2 Aryl derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1986-10-01 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 (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-20040198800-A1 Lipoxygenase inhibitors as hypolipidemic and anti-hypertensive agents ALOX5, ALOX15, ALOX15B ALOX5 1/4885PTGS1 14/4885PTGS2 13/4885

“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.