SCHEMBL1317869

SCHEMBL1317869

CCCCCCCCOCc1cccc(C2OCC(COCCCCCCCC)CO2)c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTR1A P08908 5/20 0.37
DRD2 P14416 5/20 0.37
DRD1 P21728 5/20 0.37
DRD4 P21917 5/20 0.37
DRD5 P21918 5/20 0.37
DRD3 P35462 5/20 0.37
PLA2G4B P0C869 1/20 0.36

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
SCHEMBL1317886 1.00 ALDH1A1 (0.43) ALDH1A1TDP1HTR1ADRD2DRD1
SCHEMBL1316572 1.00 ALDH1A1 (0.43) ALDH1A1TDP1HTR1ADRD2DRD1
SCHEMBL1320721 1.00 ALDH1A1 (0.43) ALDH1A1TDP1HTR1ADRD2DRD1
SCHEMBL9670184 0.84 ALDH1A1 (0.50) ALDH1A1TDP1
SCHEMBL9027367 0.84 ALDH1A1 (0.50) ALDH1A1TDP1
SCHEMBL11301728 0.73 PLA2G2A (0.44)
SCHEMBL9192175 0.72 SPHK2 (0.45) DRD2DRD1DRD4DRD5DRD3
SCHEMBL11306972 0.72 TLR2 (0.41) ALDH1A1TDP1HTR1ADRD2DRD1
SCHEMBL11541103 0.72 TLR2 (0.41) ALDH1A1TDP1HTR1ADRD2DRD1
SCHEMBL12677784 0.71 TAAR1 (0.46)

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 3 patents. 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
EP-2349978-A1 GEMINI SURFACTANTS St. Francis Xavier University (CA) 2011-08-03 EP disclosed
WO-2010048715-A1 GEMINI SURFACTANTS ST. FRANCIS XAVIER UNIVERSITY (CA) 2010-05-06 WO 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 ALDH1A1 2106/4885TDP1 2255/4885HTR1A 2300/4885

“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.