SCHEMBL11896356

SCHEMBL11896356

CCCCCC(=O)CCOC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
MAPT P10636 1/20 0.56
DGKA P23743 1/20 0.48
CES2 O00748 4/20 0.48
CES1 P23141 4/20 0.48
AKR1B1 P15121 1/20 0.46
HAO1 Q9UJM8 1/20 0.45
ALDH1A1 P00352 3/20 0.45
GPR84 Q9NQS5 6/20 0.44
PPARG P37231 6/20 0.44
PPARD Q03181 6/20 0.44
PPARA Q07869 6/20 0.44
HDAC11 Q96DB2 5/20 0.44
TSHR P16473 4/20 0.44
TLR2 O60603 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
FABP4 P15090 2/20 0.44
PTPN1 P18031 2/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
SLC22A8 Q8TCC7 1/20 0.44

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
SCHEMBL27441229 0.89 KMT2A (0.54) KMT2AMAPTDGKACES2CES1
SCHEMBL31220891 0.89 ALDH1A1 (0.59) KMT2AMAPTDGKACES2CES1
SCHEMBL21100041 0.86 KMT2A (0.52) KMT2AMAPTDGKACES2CES1
SCHEMBL28160073 0.86 MAPT (0.48) KMT2AMAPTDGKACES2CES1
SCHEMBL9891378 0.84 ALDH1A1 (0.59) KMT2AMAPTDGKACES2CES1
SCHEMBL28648653 0.84 KMT2A (0.58) KMT2AMAPTDGKACES2CES1
SCHEMBL9891379 0.84 ALDH1A1 (0.46) KMT2AMAPTDGKACES2CES1
SCHEMBL1520911 0.83
SCHEMBL27441218 0.83 ALDH1A1 (0.52) KMT2AMAPTDGKACES2CES1
SCHEMBL17505343 0.83 KMT2A (0.75) KMT2AMAPTCES2CES1AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2487149-A1 METHOD FOR PRODUCING KETONE JX Nippon Oil & Energy Corporation (JP) 2012-08-15 EP disclosed
US-20120197036-A1 METHOD FOR MANUFACTURING KETONE OSAKA UNIVERSITY (JP) 2012-08-02 US disclosed
US-20120197036-A1 METHOD FOR MANUFACTURING KETONE OSAKA UNIVERSITY (JP) 2012-08-02 US disclosed
US-20120197036-A1 METHOD FOR MANUFACTURING KETONE OSAKA UNIVERSITY (JP) 2012-08-02 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-20120197036-A1 METHOD FOR MANUFACTURING KETONE CBR1, CBR3, DUOX1 KMT2A 814/4885MAPT 3697/4885DGKA 766/4885

“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.