SCHEMBL3628841

SCHEMBL3628841

CC(=O)Oc1ccccc1CO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.53
KDM4E B2RXH2 2/20 0.53
HSD17B10 Q99714 2/20 0.53
ALDH1A1 P00352 1/20 0.53
ESR1 P03372 1/20 0.53
ITGB3 P05106 1/20 0.53
ITGA2B P08514 1/20 0.53
HMGB1 P09429 1/20 0.53
HPGD P15428 1/20 0.53
TSHR P16473 1/20 0.53
GGT1 P19440 1/20 0.53
PTGS1 P23219 1/20 0.53
BLM P54132 1/20 0.53
NAPRT Q6XQN6 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
EPHX1 P07099 1/20 0.50
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
SLC22A6 Q4U2R8 1/20 0.47

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
SCHEMBL17986152 0.88 HSD17B10 (0.67) PTGS2KDM4EHSD17B10ALDH1A1ESR1
SCHEMBL68677 0.86 PTGS2 (0.55) PTGS2KDM4EHSD17B10ALDH1A1ESR1
SCHEMBL30850062 0.86 PTGS2 (0.55) PTGS2KDM4EHSD17B10ALDH1A1ESR1
SCHEMBL11589528 0.86 PTGS2 (0.55) PTGS2KDM4EHSD17B10ALDH1A1ESR1
SCHEMBL8467353 0.85 PTGS2 (0.54) PTGS2KDM4EHSD17B10ALDH1A1ESR1
Benzene SCHEMBL28173619 0.84 PTGS2 (0.58) PTGS2KDM4EHSD17B10ALDH1A1ESR1
SCHEMBL10924111 0.84 PTGS2 (0.53) PTGS2KDM4EHSD17B10ALDH1A1ESR1
SCHEMBL3342292 0.83 EPHX1 (0.53) KDM4EHSD17B10ALDH1A1HPGDTSHR
SCHEMBL18196768 0.83 MAPK1 (0.57) PTGS2KDM4EHSD17B10ALDH1A1ESR1
SCHEMBL4353285 0.83 EPHX1 (0.47) PTGS2KDM4EHSD17B10ALDH1A1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023226965-A1 ROCK INHIBITORS AND USES THEREOF DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2023-11-30 WO disclosed
WO-2017023774-A9 PRODRUGS OF GLUTAMINE ANALOGS THE JOHNS HOPKINS UNIVERSITY (US) 2017-11-23 WO disclosed
WO-2014144073-A2 AUGMENTING MOIETIES FOR ANTI-INFLAMMATORY COMPOUNDS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-09-18 WO disclosed
EP-2393775-B1 METHOD FOR PRODUCING 2-HALOGENOMETHYLPHENYL ACETIC ACID DERIVATIVES BASF SE (DE) 2014-06-25 EP disclosed
US-8575366-B2 Method for producing 2-halogenomethylphenyl acetic acid derivatives BASF SE (DE) 2013-11-05 US disclosed
CN-102471234-A Preparation method of Fe (III) chelate of N, N '-bis (2-hydroxybenzyl) ethylenediamine-N, N' -diacetic acid and derivative thereof PRZED PROD CONSULTINGOWE ADOB SP Z O O SP K 2012-05-23 CN disclosed
EP-2393775-A2 METHOD FOR PRODUCING 2-HALOGENOMETHYLPHENYL ACETIC ACID DERIVATIVES BASF SE (DE) 2011-12-14 EP disclosed
US-20110295022-A1 Method for producing 2-halogenomethylphenyl acetic acid derivatives BASE SE (DE) 2011-12-01 US disclosed
WO-2010089267-A2 METHOD FOR PRODUCING 2-HALOGENOMETHYLPHENYL ACETIC ACID DERIVATIVES BASF SE (DE) 2010-08-12 WO disclosed
US-20090068273-A1 Inhalation devices for delivering phenethanolamine derivatives for the treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2009-03-12 US disclosed
EP-1004621-A1 GAMMA-RAY STABILIZER AND THERMOPLASTIC POLYMER COMPOSITION CONTAINING THE SAME TEIJIN LIMITED (JP) 2000-05-31 EP disclosed
EP-0947512-A1 Method for manufacturing 3-isochromanone SHOWA DENKO KABUSHIKI KAISHA (JP) 1999-10-06 EP disclosed
EP-0934262-A1 BETA-THIOPROPIONYL-AMINO ACID DERIVATIVES AND THEIR USE AS BETA-LACTAMASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1999-08-11 EP disclosed
WO-1998017639-A1 BETA-THIOPROPIONYL-AMINO ACID DERIVATIVES AND THEIR USE AS BETA-LACTAMASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1998-04-30 WO disclosed
EP-0805802-A1 SUBSTITUTED PHENYL COMPOUNDS AS ENDOTHELIN ANTAGONISTS RHONE-POULENC RORER LIMITED (GB) 1997-11-12 EP disclosed
WO-1996022978-A1 SUBSTITUTED PHENYL COMPOUNDS AS ENDOTHELIN ANTAGONISTS RHONE POULENC RORER LIMITED (GB) 1996-08-01 WO disclosed
EP-0377308-B1 Phenolic resins BORDEN UK LTD (GB) 1993-11-03 EP disclosed
US-5051454-A An esterified phenolic compound, an unesterified phenolic resole and a base and curing BORDEN, INC. (US) 1991-09-24 US disclosed
EP-0377308-A1 Phenolic resins BORDEN (UK) LIMITED (GB) 1990-07-11 EP disclosed
WO-1990006904-A2 PHENOLIC RESINS BORDEN (UK) LIMITED (GB) 1990-06-28 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-20110295022-A1 Method for producing 2-halogenomethylphenyl acetic acid derivatives HACL2, AKR7A2, ALAD PTGS2 1962/4885KDM4E 2612/4885HSD17B10 183/4885
US-20090068273-A1 Inhalation devices for delivering phenethanolamine derivatives for the treatment of respiratory diseases PNMT, CHRM3, HRH4 PTGS2 1135/4885KDM4E 218/4885HSD17B10 2736/4885

“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.