SCHEMBL17563241

SCHEMBL17563241

O=C(OCc1ccccc1)OC1CCCCC1O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
EPHX1 P07099 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 2/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 1/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
GAA P10253 1/20 0.42
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL17563460 1.00 ALDH1A1 (0.47) ALDH1A1EPHX1SMN1; SMN2NPC1RAB9A
SCHEMBL17563242 1.00 ALDH1A1 (0.47) ALDH1A1EPHX1SMN1; SMN2NPC1RAB9A
SCHEMBL2900931 0.80 ALDH1A1 (0.50) ALDH1A1EPHX1SMN1; SMN2NPC1RAB9A
SCHEMBL21729626 0.79 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL6722047 0.78 PSEN1 (0.47) ALDH1A1KMT2AMEN1
SCHEMBL20582658 0.78 PSEN1 (0.47) ALDH1A1KMT2AMEN1
SCHEMBL18629949 0.78 PSEN1 (0.47) ALDH1A1KMT2AMEN1
SCHEMBL17666343 0.78 PSEN1 (0.47) ALDH1A1KMT2AMEN1
SCHEMBL1444907 0.77 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL19684364 0.76 PSEN1 (0.46) ALDH1A1KMT2AMEN1

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-20160068630-A1 Process for Preparing Polycarbonates by Polymerization of Five-Membered-Ring Cyclic Carbonates TOTAL RESEARCH & TECHNOLOGY FELUY (BE) 2016-03-10 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-20160068630-A1 Process for Preparing Polycarbonates by Polymerization of Five-Membered-Ring Cyclic Carbonates CWC15, DKC1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ALDH1A1 2195/4885EPHX1 785/4885SMN1; SMN2 4854/4885

“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.