SCHEMBL39076

SCHEMBL39076

CC(C)(C)c1cccc(C(C)(C)N=C=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.43
HDAC4 P56524 1/20 0.43
HDAC2 Q92769 1/20 0.43
ACHE P22303 3/20 0.40
KIF11 P52732 1/20 0.38
RXRA P19793 2/20 0.38
RXRB P28702 2/20 0.38
SOD1 P00441 1/20 0.36
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
PLA2G1B P04054 1/20 0.35
NFKB1 P19838 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL34924 0.94 ESR1 (0.36) HDAC8HDAC4HDAC2ACHERXRA
Carbimide SCHEMBL4253887 0.89 ESR1 (0.33) HDAC8HDAC4HDAC2CYP3A4ESR1
SCHEMBL12050426 0.89 ESR1 (0.33) HDAC8HDAC4HDAC2CYP3A4ESR1
SCHEMBL2494913 0.89 ESR1 (0.33) HDAC8HDAC4HDAC2CYP3A4ESR1
SCHEMBL24833769 0.87 PGK1 (0.32) HDAC8HDAC4HDAC2CYP3A4ESR1
SCHEMBL11535151 0.85 CES2 (0.42) GAA
SCHEMBL14473846 0.85 ESR1 (0.32) HDAC8HDAC4HDAC2CYP2C19ESR1
SCHEMBL18126139 0.85 ESR1 (0.32) HDAC8HDAC4HDAC2ESR1ESR2
SCHEMBL13703565 0.85 ESR1 (0.32) HDAC8HDAC4HDAC2ESR1ESR2
SCHEMBL10018065 0.84 HDAC8 (0.41) HDAC8HDAC4HDAC2ACHEKIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3310165-B1 PESTICIDAL MICROCAPSULES WITH A SHELL MADE OF TETRAMETHYLXYLYLENE DIISOCYANATE, CYCLOALIPHATIC DIISOCYANATE, AND ALIPHATIC DIAMINE BASF SE (DE) 2019-09-11 EP disclosed
US-20190151648-A1 BIO-ELECTRODE COMPOSITION, BIO-ELECTRODE, AND METHOD FOR MANUFACTURING BIO-ELECTRODE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2019-05-23 US disclosed
US-20180171058-A1 Method for the Synthesis of Polymer Carbodiimides with Added Cesium Salts, Polymer Carbodiimides, and Use Thereof LANXESS DEUTSCHLAND GMBH (DE) 2018-06-21 US disclosed
WO-2018104117-A1 CINMETHYLIN MICROCAPSULES WITH A SHELL MADE OF TETRAMETHYLXYLYLENE DIISOCYANATE AND A POLYAM-INE WITH AT LEAST THREE AMINE GROUPS BASF Agro B.V. (NL) 2018-06-14 WO disclosed
WO-2018104118-A1 COMPOSITION COMPRISING POLYURETHANE MICROCAPSULES COMPRISING CINMETHYLIN BASF Agro B.V. (NL) 2018-06-14 WO disclosed
US-9287563-B2 Electrode for lithium secondary battery and lithium secondary battery including the same SAMSUNG SDI CO., LTD. (KR) 2016-03-15 US disclosed
US-8802318-B2 Compound and composition including compound, with fuel cell, fuel cell electrode and fuel cell electrolyte membrane using same SAMSUNG ELECTRONICS CO., LTD. (KR) 2014-08-12 US disclosed
US-20120189915-A1 ELECTRODE FOR LITHIUM SECONDARY BATTERY AND LITHIUM SECONDARY BATTERY INCLUDING THE SAME SAMSUNG SDI CO., LTD. (KR) 2012-07-26 US disclosed
US-20110281200-A1 COMPOUND AND COMPOSITION INCLUDING COMPOUND, WITH FUEL CELL, FUEL CELL ELECTRODE AND FUEL CELL ELECTROLYTE MEMBRANE USING SAME SNU R&DB FOUNDATION (KR) 2011-11-17 US 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-20190151648-A1 BIO-ELECTRODE COMPOSITION, BIO-ELECTRODE, AND METHOD FOR MANUFACTURING BIO-ELECTRODE FUCA1, GJA1, ASIC1 HDAC8 2473/4885HDAC4 3820/4885HDAC2 2764/4885

“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.