SCHEMBL443285

SCHEMBL443285

COc1cc(C#N)cc(OC)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.52
ALB P02768 2/20 0.52
ABL1 P00519 1/20 0.47
BCR P11274 1/20 0.47
LMNA P02545 2/20 0.47
PKM P14618 2/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA3 P07451 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
EGFR P00533 5/20 0.46

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
SCHEMBL12846356 0.91 EGFR (0.51) TTRALBABL1BCRLMNA
SCHEMBL17655654 0.90 TTR (0.47) TTRALBABL1BCRLMNA
SCHEMBL9244309 0.88 TTR (0.45) TTRALBABL1BCRLMNA
SCHEMBL1175107 0.88 EGFR (0.54) TTRALBABL1BCRLMNA
SCHEMBL17744575 0.86 TTR (0.44) TTRALBABL1BCRLMNA
SCHEMBL8440705 0.86 MEN1 (0.64) TTRALBLMNAKMT2AMEN1
SCHEMBL1175171 0.86 CYP19A1 (0.47) TTRALBLMNAKMT2AMEN1
SCHEMBL10493540 0.86 NFKB1 (0.45) TTRALBABL1BCRLMNA
SCHEMBL24190768 0.82 ERN1 (0.60) LMNAMAPT
SCHEMBL31596359 0.82 PKM (0.49) TTRALBLMNAPKMCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117567318-A Method for synthesizing hydroxybenzonitrile from lignin-based aromatic aldehyde 南京农业大学 2024-02-20 CN claimed
EP-2350250-B2 DELIVERY SYSTEM FOR CO-FORMULATED ENZYME AND SUBSTRATE DANISCO US INC (US) 2022-11-30 EP claimed
WO-2013173332-A1 METHOD FOR SELECTIVE PRODUCTION OF BIOBASED CHEMICALS AND BIOFUELS FROM PLANT LIGNIN Vertichem Corporation (CA) 2013-11-21 WO claimed
US-20130232853-A1 METHOD FOR SELECTIVE PRODUCTION OF BIOBASED CHEMICALS AND BIOFUELS FROM PLANT LIGNIN THESIS CHEMISTRY, LLC (US) 2013-09-12 US claimed
EP-2092113-A2 LACCASE MEDIATORS AND METHODS OF USE Danisco US, INC., Genencor Division (US) 2009-08-26 EP claimed
US-20080189871-A1 LACCASE MEDIATORS AND METHODS OF USE DANISCO US INC., GENENCOR DIVISION 2008-08-14 US claimed
WO-2008076323-A2 LACCASE MEDIATORS AND METHODS OF USE DANISCO US, INC., GENENCOR DIVISION (US) 2008-06-26 WO claimed
US-12195450-B2 Small molecule neutral sphingomyelinase 2 (nSMase2) inhibitors THE JOHNS HOPKINS UNIVERSITY (US) 2025-01-14 US disclosed
CN-117567318-A Method for synthesizing hydroxybenzonitrile from lignin-based aromatic aldehyde 南京农业大学 2024-02-20 CN disclosed
EP-2350250-B2 DELIVERY SYSTEM FOR CO-FORMULATED ENZYME AND SUBSTRATE DANISCO US INC (US) 2022-11-30 EP disclosed
CN-111825829-B Triazine ring structure-containing bio-based epoxy resin and preparation method thereof 大连理工大学 2022-05-13 CN disclosed
US-20220119374-A1 SMALL MOLECULE NEUTRAL SPHINGOMYELINASE 2 (nSMase2) INHIBITORS THE JOHNS HOPKINS UNIVERSITY 2022-04-21 US disclosed
US-20220119374-A1 SMALL MOLECULE NEUTRAL SPHINGOMYELINASE 2 (nSMase2) INHIBITORS THE JOHNS HOPKINS UNIVERSITY 2022-04-21 US disclosed
WO-2008076322-A2 NOVEL LACCASES, COMPOSITIONS AND METHODS OF USE DANISCO US, INC., GENENCOR DIVISION (US) 2008-06-26 WO disclosed
WO-2008076323-A2 LACCASE MEDIATORS AND METHODS OF USE DANISCO US, INC., GENENCOR DIVISION (US) 2008-06-26 WO disclosed
EP-0566199-B1 1,2,4-Oxadiazolyl-phenoxyalkylisoxazoles and their use as antiviral agents SANOFI SA (FR) 2000-03-01 EP disclosed
US-5643929-A TREATMENT OF PICORNAVIRAL OR RHINOVIRUS AND CHEMICAL INTERMEDIATES SANOFI WINTHROP, INC. (US) 1997-07-01 US disclosed
US-5464848-A 1,2,4-oxadiazolyl-phenoxyalkylisoxazoles and their use as antiviral agents STERLING WINTHROP INC. (US) 1995-11-07 US disclosed
US-5349068-A 1,2,4-oxadiazolyl-phenoxyalkylisoxazoles and their use as antiviral agents STERLING WINTHROP INC. (US) 1994-09-20 US disclosed
EP-0566199-A1 1,2,4-Oxadiazolyl-phenoxyalkylisoxazoles and their use a s antiviral agents STERLING WINTHROP INC. (US) 1993-10-20 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 (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-12195450-B2 Small molecule neutral sphingomyelinase 2 (nSMase2) inhibitors SMPD2, SPTLC2, SGMS2 TTR 4441/4885ALB 3651/4885ABL1 4495/4885
US-20220119374-A1 SMALL MOLECULE NEUTRAL SPHINGOMYELINASE 2 (nSMase2) INHIBITORS SMPD2, SPTLC2, SGMS2 TTR 4441/4885ALB 3651/4885ABL1 4495/4885
US-20130232853-A1 METHOD FOR SELECTIVE PRODUCTION OF BIOBASED CHEMICALS AND BIOFUELS FROM PLANT LIGNIN HAAO, HAO2, HACL2 TTR 2630/4885ALB 1087/4885ABL1 4013/4885

“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.