SCHEMBL16640264

SCHEMBL16640264

O=C(Cl)CCCCCCCCCCC(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
MAPK1 P28482 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
EPHX2 P34913 1/20 0.53
TDP1 Q9NUW8 2/20 0.47
KMT2A Q03164 2/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
HTT P42858 1/20 0.45
FAAH O00519 1/20 0.44
MGLL Q99685 1/20 0.44
NOTUM Q6P988 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL11385884 1.00 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1EPHX2TDP1
SCHEMBL27003867 1.00 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1EPHX2TDP1
SCHEMBL4251494 0.98 ALDH1A1 (0.59) ALDH1A1MAPK1L3MBTL1EPHX2TDP1
SCHEMBL11343298 0.95 ALDH1A1 (0.59) ALDH1A1MAPK1L3MBTL1EPHX2TDP1
SCHEMBL28600680 0.91 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1EPHX2TDP1
SCHEMBL118235 0.91 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1EPHX2TDP1
SCHEMBL28434793 0.91 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1EPHX2TDP1
SCHEMBL10621326 0.91 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1EPHX2TDP1
SCHEMBL20624816 0.91 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1EPHX2TDP1
SCHEMBL4941879 0.91 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1EPHX2TDP1

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-20150104502-A1 BOLAAMPHIPHILIC COMPOUNDS, COMPOSITIONS AND USES THEREOF LAUREN SCIENCES LLC 2015-04-16 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-20150104502-A1 BOLAAMPHIPHILIC COMPOUNDS, COMPOSITIONS AND USES THEREOF LGALS1, BOLA2; BOLA2B, LGALS2 ALDH1A1 170/4885MAPK1 2213/4885L3MBTL1 862/4885

“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.