SCHEMBL19862466

SCHEMBL19862466

CCCCN(CCCC(=O)OCc1ccccc1)CCCC(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.51
ALDH1A1 P00352 4/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
MAPK1 P28482 2/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
DRD2 P14416 2/20 0.49
OPRM1 P35372 2/20 0.49
DRD3 P35462 2/20 0.49
OPRD1 P41143 2/20 0.49
OPRK1 P41145 2/20 0.49
MEN1 O00255 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 1/20 0.46
CCKBR P32239 1/20 0.45
ICMT O60725 1/20 0.45
ALB P02768 1/20 0.45
CETP P11597 3/20 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
SCHEMBL19862468 0.94 ALOX5 (0.51) ALOX5ALDH1A1L3MBTL1MAPK1CYP3A4
SCHEMBL19862467 0.92 ALDH1A1 (0.58) ALOX5ALDH1A1L3MBTL1MAPK1TDP1
SCHEMBL8886811 0.90 ALOX5 (0.52) ALOX5ALDH1A1L3MBTL1MAPK1CYP3A4
SCHEMBL19862469 0.89 ALDH1A1 (0.54) ALOX5ALDH1A1L3MBTL1MAPK1TDP1
SCHEMBL133636 0.88 ALDH1A1 (0.59) ALOX5ALDH1A1L3MBTL1MAPK1CYP3A4
Water SCHEMBL27569528 0.86 ALDH1A1 (0.58) ALOX5ALDH1A1L3MBTL1MAPK1CYP3A4
SCHEMBL135437 0.86 ALDH1A1 (0.58) ALDH1A1L3MBTL1MAPK1CYP3A4TSHR
SCHEMBL28530002 0.86 ALDH1A1 (0.58) ALDH1A1L3MBTL1MAPK1CYP3A4TSHR
Hydrochloric Acid SCHEMBL28136732 0.86 ALDH1A1 (0.58) ALOX5ALDH1A1L3MBTL1MAPK1CYP3A4
SCHEMBL8885275 0.85 BCHE (0.52) ALOX5ALDH1A1L3MBTL1MAPK1CYP3A4

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-20180044280-A1 Y-TYPE DISCRETE POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREOF JENKEM TECHNOLOGY CO., LTD. (BEIJING) (CN) 2018-02-15 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-20180044280-A1 Y-TYPE DISCRETE POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREOF IDUA, YWHAZ, DDOST ALOX5 3275/4885ALDH1A1 3213/4885L3MBTL1 3424/4885

“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.