SCHEMBL2633871

SCHEMBL2633871

COc1ccc(C(=O)C(C)O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.59
CES1 P23141 2/20 0.59
ALDH1A1 P00352 1/20 0.58
CYP1A2 P05177 1/20 0.58
CA1 P00915 6/20 0.57
CA2 P00918 6/20 0.57
PARP10 Q53GL7 2/20 0.55
PARP1 P09874 1/20 0.55
PARP2 Q9UGN5 1/20 0.55
PARP4 Q9UKK3 1/20 0.55
PLK1 P53350 1/20 0.52
MAPT P10636 2/20 0.50
GSK3B P49841 1/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50

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
SCHEMBL3604397 0.85 SMN1; SMN2 (0.68) ALDH1A1PARP10MAPTRAB9AHPGD
SCHEMBL3604393 0.85 SMN1; SMN2 (0.68) ALDH1A1PARP10MAPTRAB9AHPGD
SCHEMBL1641119 0.85 CES2 (0.61) CES2CES1ALDH1A1CYP1A2CA1
SCHEMBL12453 0.85 CES2 (0.61) CES2CES1ALDH1A1CYP1A2CA1
SCHEMBL5217024 0.85 CES2 (0.61) CES2CES1ALDH1A1CYP1A2CA1
SCHEMBL21456599 0.84 KDM4E (0.43) CES2CES1ALDH1A1CA1CA2
SCHEMBL28513928 0.84 CES2 (0.55) CES2CES1ALDH1A1CYP1A2CA1
SCHEMBL22548771 0.84 PARP10 (0.61) CES2CES1ALDH1A1CYP1A2CA1
SCHEMBL9196872 0.83 KDM4E (0.64) ALDH1A1CYP1A2MAPTMEN1LMNA
SCHEMBL9593388 0.83 KDM4E (0.64) ALDH1A1CYP1A2MAPTMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114146071-B Application of paeonol and its derivatives in preventing and treating leukoplakia syndrome 西北农林科技大学深圳研究院 2023-02-28 CN claimed
CN-114146071-A Application of paeonol and its derivatives in preventing and treating leukoplakia syndrome 西北农林科技大学深圳研究院 2022-03-08 CN claimed
CN-119263946-A Preparation method of alpha-acyloxyketone compound 华南师范大学 2025-01-07 CN disclosed
CN-117603436-A Polymer, modified polyurethane elastomer and preparation method thereof 北京大学 2024-02-27 CN disclosed
CN-114790159-B Diphenyl ketone selenoethyl compound and preparation method and application thereof 合肥学院 2023-08-11 CN disclosed
CN-114146071-B Application of paeonol and its derivatives in preventing and treating leukoplakia syndrome 西北农林科技大学深圳研究院 2023-02-28 CN disclosed
CN-115040497-A Application of paeonol derivative in preventing and treating leukoplakia syndrome 西北农林科技大学深圳研究院 2022-09-13 CN disclosed
CN-114790159-A Diphenyl ketone selenide compound and preparation method and application thereof 合肥学院 2022-07-26 CN disclosed
CN-114146071-A Application of paeonol and its derivatives in preventing and treating leukoplakia syndrome 西北农林科技大学深圳研究院 2022-03-08 CN disclosed
CN-108083999-B Green preparation method of alpha-hydroxyketone 西北师范大学 2020-08-11 CN disclosed
US-9265767-B2 1,2-disubstituted heterocyclic compounds FORUM PHARMACEUTICALS INC. (US) 2016-02-23 US disclosed
EP-2568953-A2 TRIAZINES AS REACTION ACCELERATORS Merck Patent GmbH (DE) 2013-03-20 EP disclosed
US-20120232265-A1 1,2-Disubstituted Heterocyclic Compounds ENVIVO PHARMACEUTICALS, INC. 2012-09-13 US disclosed
US-8071595-B2 1,2-disubstituted heterocyclic compounds ENVIVO PHARMACEUTICALS, INC. (US) 2011-12-06 US disclosed
WO-2011141111-A2 TRIAZINES AS REACTION ACCELERATORS MERCK PATENT GMBH (DE) 2011-11-17 WO disclosed
EP-1892573-B1 Photopolymerizable composition comprising fine particles of organic pigment FUJIFILM CORP (JP) 2011-11-02 EP disclosed
US-20100137317-A1 1,2-Disubstituted Heterocyclic Compounds ENVIVO PHARMACEUTICALS, INC. (US) 2010-06-03 US disclosed
US-5668614-A Pixelized liquid crystal display materials including chiral material adopted to change its chirality upon photo-irradiation KENT STATE UNIVERSITY (US) 1997-09-16 US disclosed
US-5409952-A Anticancer agents ADIR ET COMPAGNIE (FR) 1995-04-25 US disclosed
EP-0454587-A1 Heterocyclic derivatives: 2-styryl-4H-1-benzopyran-4-ons, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1991-10-30 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 (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-20120232265-A1 1,2-Disubstituted Heterocyclic Compounds PDE12, PDE7A, PDE10A CES2 49/4885CES1 64/4885ALDH1A1 699/4885
US-20100137317-A1 1,2-Disubstituted Heterocyclic Compounds PDE12, PDE7A, PDE10A CES2 49/4885CES1 64/4885ALDH1A1 699/4885

“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.