SCHEMBL3064183

SCHEMBL3064183

O=C(O)c1ccc2c(c1)OCCCO2

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.72
MAPK1 P28482 1/20 0.72
NPC1 O15118 7/20 0.70
RAB9A P51151 6/20 0.70
KMT2A Q03164 2/20 0.62
TSHR P16473 3/20 0.59
HPGD P15428 4/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
CASP3 P42574 1/20 0.59
SENP8 Q96LD8 1/20 0.59
SENP7 Q9BQF6 1/20 0.59
SENP6 Q9GZR1 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
MEN1 O00255 1/20 0.59
LMNA P02545 1/20 0.59
MAPT P10636 1/20 0.59
SRD5A2 P31213 1/20 0.59
TP53 P04637 1/20 0.56
STAT3 P40763 1/20 0.56
PKM P14618 2/20 0.56

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
SCHEMBL16784087 0.95 ALDH1A1 (0.66) ALDH1A1MAPK1NPC1RAB9AKMT2A
SCHEMBL16784083 0.93 ALDH1A1 (0.64) ALDH1A1MAPK1NPC1RAB9AKMT2A
SCHEMBL619634 0.92 MAPK1 (0.78) ALDH1A1MAPK1NPC1RAB9ATSHR
SCHEMBL16784084 0.90 KDM4E (0.66) ALDH1A1MAPK1NPC1RAB9AKMT2A
Formaldehyde SCHEMBL27289523 0.89 MAPK1 (0.72) ALDH1A1MAPK1NPC1RAB9ATSHR
SCHEMBL12445338 0.87 KDM4E (0.72) ALDH1A1MAPK1NPC1RAB9AKMT2A
SCHEMBL16784085 0.87 KDM4E (0.72) ALDH1A1MAPK1NPC1RAB9AKMT2A
SCHEMBL2807412 0.87 KDM4E (0.72) ALDH1A1MAPK1NPC1RAB9AKMT2A
SCHEMBL22292225 0.87 KDM4E (0.72) ALDH1A1MAPK1NPC1RAB9AKMT2A
SCHEMBL2806009 0.87 KDM4E (0.72) ALDH1A1MAPK1NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242275-B2 Bicyclic pyrazole compounds as antibacterial agents JANSSEN PHARMACEUTICA NV (BE) 2012-08-14 US claimed
EP-1585757-B1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-08-01 EP claimed
US-20100280240-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS ALLISON BRETT D 2010-11-04 US claimed
US-7816371-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2010-10-19 US claimed
US-7442793-B2 Peptide deformylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-10-28 US claimed
EP-1863483-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS Janssen Pharmaceutica, N.V. (BE) 2007-12-12 EP claimed
US-20070173542-A1 Peptide deformylase inhibitors GLAXOSMITHKLINE LLC 2007-07-26 US claimed
US-20060223810-A1 Bicyclic pyrazole compounds as antibacterial agents JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-05 US claimed
WO-2006105289-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-05 WO claimed
US-20050256104-A1 substituted 1,1,4-1l6-trioxo[1,2]thiazepan-4-ylamide-derived protease inhibitors which inhibit the likes of cathepsin K; treating osteoporosis, osteo- and rheumatoid arthritis and periodontal disease; inhibiting excessive cartilage or matrix degradation SMITHKLINE BEECHAM CORPORATION 2005-11-17 US claimed
EP-1384713-A1 4-amino-azepan-3-one derivatives as protease inhibitors SmithKline Beecham Corporation (US) 2004-01-28 EP claimed
US-20040002487-A1 Protease inhibitors MARQUIS ROBERT WELLS (US) 2004-01-01 US claimed
US-20030225061-A1 Protease inhibitors MARQUIS ROBERT WELLS (US) 2003-12-04 US claimed
US-20030144175-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2003-07-31 US claimed
US-20030044399-A1 Method of treatment SMITHKLINE BEECHAM CORPORATION 2003-03-06 US claimed
US-20020147188-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-10-10 US claimed
EP-0729953-A2 A process for producing a 2-substituted-3,4-fused heterocyclic benzoic acid ROHM AND HAAS COMPANY (US) 1996-09-04 EP claimed
EP-0602794-A2 Insecticidal N'-substituted-N, N'-diacylhydrazines ROHM AND HAAS COMPANY (US) 1994-06-22 EP claimed
US-20260028334-A1 N-(3-(BENZO[B]THIOPHENE-2-CARBOXAMIDO)-PHENYL)-2,3-DIHYDROBENZO[B][1,4]DIOXINE-6-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS LACTATE/ATP PRODUCTION INHIBITORS FOR THE TREATMENT OF CANCER WMT AG (DE) 2026-01-29 US disclosed
EP-0602794-A2 Insecticidal N'-substituted-N, N'-diacylhydrazines ROHM AND HAAS COMPANY (US) 1994-06-22 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 (10 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-20030225061-A1 Protease inhibitors CTSK, MMP13, CTSZ ALDH1A1 3651/4885MAPK1 2727/4885NPC1 1211/4885
US-20060223810-A1 Bicyclic pyrazole compounds as antibacterial agents NOD2, BAK1, CASP3 ALDH1A1 3885/4885MAPK1 1955/4885NPC1 1528/4885
US-20030044399-A1 Method of treatment DNPEP, PEPD, ANPEP ALDH1A1 1483/4885MAPK1 4490/4885NPC1 1184/4885
US-20100280240-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS NOD2, BAK1, CASP3 ALDH1A1 3885/4885MAPK1 1955/4885NPC1 1528/4885
US-20070173542-A1 Peptide deformylase inhibitors PDF, PEPD, DPEP1 ALDH1A1 4302/4885MAPK1 3587/4885NPC1 1328/4885
US-20050256104-A1 substituted 1,1,4-1l6-trioxo[1,2]thiazepan-4-ylamide-derived protease inhibitors which inhibit the likes of cathepsin K; treating osteoporosis, osteo- and rheumatoid arthritis and periodontal disease; inhibiting excessive cartilage or matrix degradation CTSK, CTSZ, CTSE ALDH1A1 3117/4885MAPK1 2215/4885NPC1 1557/4885
US-20020147188-A1 Protease inhibitors CTSK, MMP13, CTSZ ALDH1A1 3651/4885MAPK1 2727/4885NPC1 1211/4885
US-20040002487-A1 Protease inhibitors CTSK, MMP13, CTSZ ALDH1A1 3651/4885MAPK1 2727/4885NPC1 1211/4885
US-20030144175-A1 Protease inhibitors CTSK, MMP13, CTSZ ALDH1A1 3651/4885MAPK1 2727/4885NPC1 1211/4885
US-20260028334-A1 N-(3-(BENZO[B]THIOPHENE-2-CARBOXAMIDO)-PHENYL)-2,3-DIHYDROBENZO[B][1,4]DIOXINE-6-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS LACTATE/ATP PRODUCTION INHIBITORS FOR THE TREATMENT OF CANCER LDHA, LDHB, SLC6A1 ALDH1A1 129/4885MAPK1 2264/4885NPC1 448/4885

“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.