SCHEMBL1028678

SCHEMBL1028678

COc1cccc(C=O)c1C=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.63
TLR2 O60603 1/20 0.63
TLR1 Q15399 1/20 0.63
TLR6 Q9Y2C9 1/20 0.63
SRC P12931 1/20 0.53
ALDH1A1 P00352 6/20 0.50
CYP1A2 P05177 2/20 0.50
LMNA P02545 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
NFE2L2 Q16236 4/20 0.47
TFEB P19484 1/20 0.47
PRKDC P78527 1/20 0.47
KDM4E B2RXH2 3/20 0.47
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL170690 0.87 ERN1 (0.55) ERN1TLR2TLR1TLR6SRC
SCHEMBL8598031 0.86 ERN1 (0.53) ERN1TLR2TLR1TLR6SRC
SCHEMBL29091959 0.85 ERN1 (0.53) ERN1TLR2TLR1TLR6SRC
SCHEMBL3679777 0.83 ERN1 (0.54) ERN1TLR2TLR1TLR6SRC
SCHEMBL28886230 0.83 ALDH1A1 (0.48) ERN1TLR2TLR1TLR6SRC
SCHEMBL27685686 0.83 ERN1 (0.52) ERN1TLR2TLR1TLR6SRC
SCHEMBL5070862 0.83 LMNA (0.50) ERN1TLR2TLR1TLR6SRC
Bromomethane SCHEMBL28079811 0.83 ERN1 (0.52) ERN1TLR2TLR1TLR6SRC
SCHEMBL738533 0.81 ERN1 (0.66) ERN1TLR2TLR1TLR6SRC
SCHEMBL30203585 0.81 ERN1 (0.66) ERN1TLR2TLR1TLR6SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117050112-A DOPO derivative containing benzazepine as well as preparation method and application thereof 西华大学 2023-11-14 CN claimed
CN-117050112-A DOPO derivative containing benzazepine as well as preparation method and application thereof 西华大学 2023-11-14 CN disclosed
CN-116940559-A Cyclic diol compound, process for producing the compound, and use of the compound 新日本理化株式会社 2023-10-24 CN disclosed
US-20210289794-A1 COMPOSITIONS AND RELATED METHODS FOR AGRICULTURE FLAGSHIP PIONEERING INNOVATIONS V, INC. 2021-09-23 US disclosed
US-8476454-B2 IDO inhibitors and methods of use LANKENAU INSTITUTE FOR MEDICAL RESEARCH (US) 2013-07-02 US disclosed
US-8426440-B2 Indolymaleimide derivatives NOVARTIS AG (CH) 2013-04-23 US disclosed
EP-2246346-B1 Indolylmaleimide derivatives as protein kinase inhibitors NOVARTIS AG (CH) 2012-10-24 EP disclosed
US-20120251545-A1 Therapeutic Combinations Of Hydroxybenzamide Derivatives As Inhibitors Of HSP90 ASTEX THERAPEUTICS LIMITED (GB) 2012-10-04 US disclosed
US-8277807-B2 Pharmaceutical combinations ASTEX THERAPEUTICS LIMITED (GB) 2012-10-02 US disclosed
EP-1904482-B1 INDOLYLMALEIMIDE DERIVATIVES NOVARTIS AG (CH) 2011-01-19 EP disclosed
EP-1606285-A4 NOVEL IDO INHIBITORS AND METHODS OF USE LANKENAU INST MEDICAL RES (US) 2009-03-18 EP disclosed
US-20080318975-A1 Indolylmaleimide Derivatives NOVARTIS AG (CH) 2008-12-25 US disclosed
EP-1904482-A2 INDOLYLMALEIMIDE DERIVATIVES Novartis AG (CH) 2008-04-02 EP disclosed
CN-101041660-A 1,2-dihydrogen pyridine derivative, carbon glycosides intermediate and preparation method and application thereof CHINESE ACAD INST CHEMISTRY (CN) 2007-09-26 CN disclosed
US-20070173524-A1 \"Novel ido inhibitors and methods of use LANKENAU INSTITUTE FOR MEDICAL RESEARCH 2007-07-26 US disclosed
WO-2007006533-A2 INDOLYLMALEIMIDE DERIVATIVES NOVARTIS AG (CH) 2007-01-18 WO disclosed
US-20060025426-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2006-02-02 US disclosed
EP-1606285-A1 NOVEL IDO INHIBITORS AND METHODS OF USE Lankenau Institute for Medical Research (US) 2005-12-21 EP disclosed
WO-2004094409-A1 NOVEL IDO INHIBITORS AND METHODS OF USE LANKENAU INSTITUTE FOR MEDICAL RESEARCH (US) 2004-11-04 WO disclosed
WO-2004052315-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2004-06-24 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 (4 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-20060025426-A1 Tyrosine kinase inhibitors FLT1, FLT4, KDR ERN1 1137/4885TLR2 772/4885TLR1 662/4885
US-20070173524-A1 \"Novel ido inhibitors and methods of use IDO1, IDO2, INMT ERN1 3427/4885TLR2 2012/4885TLR1 2239/4885
US-20080318975-A1 Indolylmaleimide Derivatives IDH3A, INMT, IDH3B ERN1 3370/4885TLR2 4520/4885TLR1 4573/4885
US-20120251545-A1 Therapeutic Combinations Of Hydroxybenzamide Derivatives As Inhibitors Of HSP90 HSP90AB1, HSP90AB2P, HSP90AA1 ERN1 3226/4885TLR2 2349/4885TLR1 1866/4885

“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.