SCHEMBL2362569

SCHEMBL2362569

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)OC(=O)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.72
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CTSK P43235 1/20 0.48
LMNA P02545 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
POLB P06746 1/20 0.48
SCN1A P35498 1/20 0.48
SCN2A Q99250 1/20 0.48
SCN3A Q9NY46 1/20 0.48
FAAH O00519 3/20 0.48
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
PRSS1 P07477 2/20 0.47
CTSG P08311 1/20 0.47
CTRB1 P17538 1/20 0.47
CMA1 P23946 1/20 0.47
MEN1 O00255 1/20 0.47

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
SCHEMBL12083567 1.00 ALDH1A1 (0.72) ALDH1A1KMT2AKDM4EL3MBTL1CTSK
SCHEMBL27262020 1.00 ALDH1A1 (0.72) ALDH1A1KMT2AKDM4EL3MBTL1CTSK
SCHEMBL1142463 1.00 ALDH1A1 (0.72) ALDH1A1KMT2AKDM4EL3MBTL1CTSK
SCHEMBL26775029 1.00 ALDH1A1 (0.72) ALDH1A1KMT2AKDM4EL3MBTL1CTSK
SCHEMBL1142467 1.00 ALDH1A1 (0.72) ALDH1A1KMT2AKDM4EL3MBTL1CTSK
SCHEMBL6546118 0.98 ALDH1A1 (0.69) ALDH1A1KMT2AKDM4EL3MBTL1CTSK
SCHEMBL2578004 0.94 ALDH1A1 (0.62) ALDH1A1KMT2AKDM4EL3MBTL1CTSK
SCHEMBL16366695 0.94 ALDH1A1 (0.62) ALDH1A1KMT2AKDM4EL3MBTL1CTSK
SCHEMBL1704751 0.92 ALDH1A1 (0.64) ALDH1A1KMT2AKDM4EL3MBTL1FAAH
SCHEMBL27216024 0.92 ALDH1A1 (0.62) ALDH1A1KMT2AKDM4EL3MBTL1CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8664423-B2 Process for the preparation of acylated secondary alcohol alkoxylates and secondary alcohol alkoxylates SHELL OIL COMPANY (US) 2014-03-04 US disclosed
EP-2181763-B1 Catalyst and process for alkoxylation SHELL INT RESEARCH (NL) 2012-06-20 EP disclosed
US-20110237817-A1 PROCESS FOR THE PREPARATION OF ACYLATED SECONDARY ALCOHOL ALKOXYLATES AND SECONDARY ALCOHOL ALKOXYLATES SHELL OIL COMPANY 2011-09-29 US disclosed
EP-2349974-A1 PROCESS FOR THE PREPARATION OF ACYLATED SECONDARY ALCOHOL ALKOXYLATES AND SECONDARY ALCOHOL ALKOXYLATES Shell Internationale Research Maatschappij B.V. (NL) 2011-08-03 EP disclosed
WO-2010049465-A1 PROCESS FOR THE PREPARATION OF ACYLATED SECONDARY ALCOHOL ALKOXYLATES AND SECONDARY ALCOHOL ALKOXYLATES SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2010-05-06 WO disclosed
EP-2181763-A1 Catalyst and process for alkoxylation Shell Internationale Research Maatschappij B.V. (NL) 2010-05-05 EP 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-20110237817-A1 PROCESS FOR THE PREPARATION OF ACYLATED SECONDARY ALCOHOL ALKOXYLATES AND SECONDARY ALCOHOL ALKOXYLATES ADH1A, ADH1C, ADH5 ALDH1A1 47/4885KMT2A 623/4885KDM4E 758/4885

“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.