SCHEMBL6935962

SCHEMBL6935962

Nc1ccc(CO)c(O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.48
TSHR P16473 2/20 0.48
PRKCI P41743 1/20 0.44
MAPT P10636 3/20 0.43
KDM4E B2RXH2 3/20 0.43
GAA P10253 3/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 2/20 0.43
ESR2 Q92731 1/20 0.43
PTPN1 P18031 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
PDE10A Q9Y233 1/20 0.43
ACHE P22303 3/20 0.42
TDP1 Q9NUW8 3/20 0.41
ALOX15 P16050 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MAPK1 P28482 2/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
Acetic Acid SCHEMBL27949813 0.88 MAPT (0.48) CASP1TSHRPRKCIMAPTKDM4E
SCHEMBL710621 0.83 TSHR (0.50) CASP1TSHRPRKCIMAPTKDM4E
SCHEMBL6497283 0.83 CYP3A4 (0.45) CASP1PRKCIMAPTKDM4EGAA
SCHEMBL6152292 0.82 TYR (0.46) CASP1TSHRPRKCIMAPTKDM4E
Hydrochloric Acid SCHEMBL16087335 0.81 TSHR (0.48) CASP1TSHRPRKCIMAPTKDM4E
SCHEMBL33926 0.81 PRKCI (0.59) CASP1TSHRPRKCIMAPTKDM4E
SCHEMBL8761713 0.81 TSHR (0.48) CASP1TSHRPRKCIMAPTKDM4E
SCHEMBL13183889 0.80 PRKCI (0.42) CASP1TSHRPRKCIMAPTKDM4E
SCHEMBL23412633 0.79 RECQL (0.58) CASP1TSHRPRKCIMAPTKDM4E
SCHEMBL9790056 0.79 CASP1 (0.46) CASP1TSHRPRKCIMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2678037-B1 BRANCHED LINKER FOR PROTEIN DRUG CONJUGATES LONZA AG (CH) 2014-12-03 EP claimed
CN-115850449-A Antibodies and conjugates 苏州智核生物医药科技有限公司 2023-03-28 CN disclosed
CN-114957156-A Compound containing benzoxazine structure, resin composition, prepreg and electric copper clad laminate, and preparation method and application thereof 成都科宜高分子科技有限公司 2022-08-30 CN disclosed
EP-3040451-B1 REACTION PRODUCTS OF AMINO ACIDS AND EPOXIES ROHM & HAAS ELECT MAT (US) 2018-07-25 EP disclosed
WO-2016115360-A1 C-MYC LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2016-07-21 WO disclosed
CN-103384534-B Branched linker for protein drug conjugates LONZA LTD. (CH) 2015-09-30 CN disclosed
CN-104906592-A Branched linker for protein drug conjugates LONZA AG 2015-09-16 CN disclosed
WO-2015106292-A1 BCR-ABL TYROSINE-KINASE LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2015-07-16 WO disclosed
WO-2015081280-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION COFERON, INC. (US) 2015-06-04 WO disclosed
US-20140243286-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2014-08-28 US disclosed
US-20140243286-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2014-08-28 US disclosed
CN-103384534-A Branched linker for protein drug conjugates LONZA AG 2013-11-06 CN disclosed
WO-2013033270-A2 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2013-03-07 WO disclosed
US-8361935-B2 Metal free crosslinking of galactomannan SCHLUMBERGER TECHNOLOGY CORPORATION (US) 2013-01-29 US disclosed
EP-0876135-B1 DYEING AGENT FOR DYEING KERATIN FIBRES WELLA AG (DE) 2003-04-09 EP disclosed
EP-0876135-A1 DYEING AGENT FOR DYEING KERATIN FIBRES Wella Aktiengesellschaft (DE) 1998-11-11 EP disclosed
WO-1998017233-A1 DYEING AGENT FOR DYEING KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 1998-04-30 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 (1 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-20140243286-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME BRDT, BRD4, BRD1 CASP1 3291/4885TSHR 2940/4885PRKCI 1020/4885

“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.