Charcoal, Activated

Charcoal, Activated

SCHEMBL2063571

CCCCC(=O)CCCC.[C]

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.61
CES2 O00748 5/20 0.61
KMT2A Q03164 2/20 0.59
MAPT P10636 1/20 0.59
ALDH1A1 P00352 4/20 0.55
TP53 P04637 1/20 0.55
CA1 P00915 1/20 0.52
AKR1B1 P15121 1/20 0.48
HAO1 Q9UJM8 1/20 0.46
PPARG P37231 5/20 0.46
PPARD Q03181 5/20 0.46
PPARA Q07869 5/20 0.46
HDAC11 Q96DB2 4/20 0.46
TSHR P16473 3/20 0.46
GPR84 Q9NQS5 3/20 0.46
TLR2 O60603 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
FABP4 P15090 2/20 0.46
PTPN1 P18031 2/20 0.46
SLC22A6 Q4U2R8 1/20 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
SCHEMBL106334 0.97 CES1 (0.65) CES1CES2KMT2AMAPTALDH1A1
SCHEMBL27757367 0.97 CES1 (0.65) CES1CES2KMT2AMAPTALDH1A1
SCHEMBL11872988 0.93 CES1 (0.61) CES1CES2KMT2AMAPTALDH1A1
Hydrochloric Acid SCHEMBL7445198 0.93 CES1 (0.61) CES1CES2KMT2AMAPTALDH1A1
Methyl Alcohol SCHEMBL28964337 0.93 CES1 (0.61) CES1CES2KMT2AMAPTALDH1A1
Butane SCHEMBL18262804 0.93 CES1 (0.61) CES1CES2KMT2AMAPTALDH1A1
SCHEMBL17228575 0.93 CES1 (0.61) CES1CES2KMT2AMAPTALDH1A1
SCHEMBL1771855 0.93 CES1 (0.61) CES1CES2KMT2AMAPTALDH1A1
SCHEMBL8465449 0.93 KMT2A (0.67) CES1CES2KMT2AMAPTALDH1A1
SCHEMBL28163431 0.93 CES1 (0.61) CES1CES2KMT2AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9067903-B2 Catalytic conversion of cellulose to liquid hydrocarbon fuels by progressive removal of oxygen to facilitate separation processes and achieve high selectivities WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2015-06-30 US disclosed
US-8624043-B2 Catalytic conversion of cellulose to liquid hydrocarbon fuels by progressive removal of oxygen to facilitate separation processes and achieve high selectivities WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-01-07 US disclosed
US-20120149922-A1 CATALYTIC CONVERSION OF CELLULOSE TO LIQUID HYDROCARBON FUELS BY PROGRESSIVE REMOVAL OF OXYGEN TO FACILITATE SEPARATION PROCESSES AND ACHIEVE HIGH SELECTIVITIES ENERGY, UNITED STATES DEPARTMENT OF 2012-06-14 US disclosed
EP-2445992-A1 CATALYTIC CONVERSION OF CELLULOSE TO LIQUID HYDROCARBON FUELS BY PROGRESSIVE REMOVAL OF OXYGEN TO FACILITATE SEPARATION PROCESSES AND ACHIEVE HIGH SELECTIVITIES Wisconsin Alumni Research Foundation (US) 2012-05-02 EP disclosed
US-8148553-B2 Catalytic conversion of cellulose to liquid hydrocarbon fuels by progressive removal of oxygen to facilitate separation processes and achieve high selectivities WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-04-03 US disclosed
WO-2010151343-A1 CATALYTIC CONVERSION OF CELLULOSE TO LIQUID HYDROCARBON FUELS BY PROGRESSIVE REMOVAL OF OXYGEN TO FACILITATE SEPARATION PROCESSES AND ACHIEVE HIGH SELECTIVITIES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-12-29 WO disclosed
US-20100324310-A1 Catalytic Conversion of Cellulose to Liquid Hydrocarbon Fuels by Progressive Removal of Oxygen to Facilitate Separation Processes and Achieve High Selectivities ENERGY, UNITED STATES DEPARTMENT OF 2010-12-23 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 (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-20100324310-A1 Catalytic Conversion of Cellulose to Liquid Hydrocarbon Fuels by Progressive Removal of Oxygen to Facilitate Separation Processes and Achieve High Selectivities HSD17B12, CYP51A1, ALOX5 CES1 647/4885CES2 1948/4885KMT2A 4332/4885
US-20120149922-A1 CATALYTIC CONVERSION OF CELLULOSE TO LIQUID HYDROCARBON FUELS BY PROGRESSIVE REMOVAL OF OXYGEN TO FACILITATE SEPARATION PROCESSES AND ACHIEVE HIGH SELECTIVITIES CYP51A1, HSD17B12, HSD17B10 CES1 559/4885CES2 979/4885KMT2A 3740/4885

“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.