SCHEMBL3605246

SCHEMBL3605246

COCc1cc(C=O)cc(COC)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.38
ALDH1A1 P00352 6/20 0.38
TDP1 Q9NUW8 2/20 0.38
TSHR P16473 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CYP2A6 P11509 1/20 0.37
FDPS P14324 1/20 0.36
MAOA P21397 3/20 0.35
MAOB P27338 3/20 0.35
AOX1 Q06278 1/20 0.34
TRIM24 O15164 1/20 0.34
HPGD P15428 1/20 0.34
ALDH5A1 P51649 1/20 0.34
ABAT P80404 1/20 0.34
TRIM33 Q9UPN9 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL14536291 0.95 ERN1 (0.38) ERN1ALDH1A1TDP1TSHRNPC1
SCHEMBL31068680 0.86 IDO1 (0.39) ERN1ALDH1A1TDP1TSHRNPC1
SCHEMBL18003864 0.86 ALDH1A1 (0.41) ERN1ALDH1A1TDP1TSHRNPC1
SCHEMBL24851930 0.86 MAOA (0.40) ERN1ALDH1A1TDP1TSHRNPC1
SCHEMBL25300279 0.86 IDO1 (0.39) ERN1ALDH1A1TDP1TSHRNPC1
SCHEMBL25373504 0.86 ERN1 (0.32) ERN1ALDH1A1TDP1TSHRNPC1
SCHEMBL30694811 0.86 ERN1 (0.32) ERN1ALDH1A1TDP1TSHRNPC1
SCHEMBL4693555 0.82 GRM5 (0.39) ERN1ALDH1A1TDP1TSHRNPC1
SCHEMBL6017515 0.82 UNG (0.43) ERN1ALDH1A1TDP1RAB9ATRIM24
SCHEMBL3624689 0.80 PRKCE (0.37) ALDH1A1TDP1MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111848954-B Modified polyimide precursor resin, photosensitive resin composition and application thereof 北京鼎材科技有限公司 2023-10-17 CN disclosed
CN-111848954-A Modified polyimide precursor resin, photosensitive resin composition and application thereof 北京鼎材科技有限公司 2020-10-30 CN disclosed
US-7732549-B2 Multi-branched polymer NIPPON SODA CO., LTD. (JP) 2010-06-08 US disclosed
US-20070142504-A1 Novel multi-branched polymer NIPPON SODA CO., LTD. (JP) 2007-06-21 US disclosed
EP-1688440-A1 NOVEL HYPERBRANCHED POLYMER NIPPON SODA CO., LTD. (JP) 2006-08-09 EP disclosed
US-7071212-B2 N-(4-carbamimidoyl-phenyl)-glycine derivatives HOFFMANN-LA ROCHE INC. (US) 2006-07-04 US disclosed
EP-1149069-B1 PHENYLGLYCINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2004-08-25 EP disclosed
US-20040034231-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives ACKERMANN JEAN (CH) 2004-02-19 US disclosed
US-6683215-B2 TREATING THROMBOSIS, APOPLEXY, CARDIAC INFARCTION AND ARTERIOSCLEROSIS, WHICH ARE ASSOCIATED WITH COAGULATION FACTORS XA, IXA AND THROMBIN INDUCED BY FACTOR VIIA AND TISSUE FACTOR; ANTIINFLAMMATORY AGENTS HOFFMAN-LA ROCHE INC. 2004-01-27 US disclosed
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives ACKERMANN JEAN (CH) 2003-05-01 US disclosed
US-6476264-B2 ANTICOAGULANT HOFFMANN-LA ROCHE INC. 2002-11-05 US disclosed
EP-1149069-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 EP disclosed
US-6242644-B1 FOR TREATING THROMBOSIS, APOPLEXY, CARDIAC INFARCTION, INFLAMATION AND ARTHEROSCLEROSIS HOFFMANN-LA ROCHE INC. 2001-06-05 US disclosed
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives ACKERMANN JEAN (CH) 2001-05-24 US disclosed
WO-2000035858-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 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-20040034231-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS ERN1 1281/4885ALDH1A1 2850/4885TDP1 1721/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS ERN1 1281/4885ALDH1A1 2850/4885TDP1 1721/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS ERN1 1281/4885ALDH1A1 2850/4885TDP1 1721/4885

“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.