SCHEMBL1317626

SCHEMBL1317626

CCCCCCCCCCCCOCC(COCCCCCCCCCCCC)(CN(C)C)CN(C)C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.47
HTT P42858 2/20 0.41
THRB P10828 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.41
SPHK1 Q9NYA1 1/20 0.40
CES2 O00748 2/20 0.39
DNM1 Q05193 4/20 0.38
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
USP2 O75604 1/20 0.36
LSS P48449 1/20 0.36
PLA2G2C Q5R387 1/20 0.33
TSHR P16473 1/20 0.32

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
SCHEMBL1316784 1.00 CES1 (0.47) CES1HTTTHRBMEN1KMT2A
SCHEMBL1317390 1.00 CES1 (0.47) CES1HTTTHRBMEN1KMT2A
SCHEMBL1316977 1.00 CES1 (0.47) CES1HTTTHRBMEN1KMT2A
Hydrochloric Acid SCHEMBL1319521 0.98 CES1 (0.46) CES1HTTTHRBMEN1KMT2A
Hydrochloric Acid SCHEMBL1316688 0.98 CES1 (0.46) CES1HTTTHRBMEN1KMT2A
Hydrochloric Acid SCHEMBL1319626 0.98 CES1 (0.46) CES1HTTTHRBMEN1KMT2A
Hydrochloric Acid SCHEMBL1319078 0.98 CES1 (0.46) CES1HTTTHRBMEN1KMT2A
SCHEMBL12120232 0.89 CES1 (0.42) CES1HTTTHRBMEN1KMT2A
SCHEMBL12120229 0.89 CES1 (0.42) CES1HTTTHRBMEN1KMT2A
SCHEMBL12120222 0.89 CES1 (0.42) CES1HTTTHRBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269652-A1 GEMINI SURFACTANTS ST. FRANCIS XAVIER UNIVERSITY (CA) 2011-11-03 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-20110269652-A1 GEMINI SURFACTANTS SGMS1, DEGS1, GMNN CES1 103/4885HTT 1291/4885THRB 3880/4885

“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.