SCHEMBL19678784

SCHEMBL19678784

CCCCCCCCCCCCCCCCCCO[C@@H]1CCC[C@H]1OCCCCCCCCCCCCCCCCCC

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 4/20 0.49
ALDH1A1 P00352 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
THRB P10828 2/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.40
RECQL P46063 2/20 0.38
TSHR P16473 2/20 0.38
CES2 O00748 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
EPHX2 P34913 1/20 0.38
BLM P54132 1/20 0.38
NAAA Q02083 2/20 0.36
USP2 O75604 1/20 0.35

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
SCHEMBL20678503 1.00 GBA1 (0.49) GBA1ALDH1A1TDP1THRBMEN1
SCHEMBL3182632 0.95 GBA1 (0.49) GBA1ALDH1A1TDP1THRBMEN1
SCHEMBL3171669 0.95 GBA1 (0.49) GBA1ALDH1A1TDP1THRBMEN1
SCHEMBL3181641 0.95 GBA1 (0.49) GBA1ALDH1A1TDP1THRBMEN1
SCHEMBL3172563 0.95 GBA1 (0.49) GBA1ALDH1A1TDP1THRBMEN1
SCHEMBL3181823 0.95 GBA1 (0.49) GBA1ALDH1A1TDP1THRBMEN1
SCHEMBL3186626 0.93 GBA1 (0.46) GBA1ALDH1A1TDP1THRBMEN1
SCHEMBL9295785 0.91 GBA1 (0.52) GBA1ALDH1A1TDP1THRBMEN1
SCHEMBL20995941 0.91 SMN1; SMN2 (0.40) GBA1ALDH1A1TDP1TSHR
SCHEMBL8970314 0.86 GBA1 (0.54) GBA1ALDH1A1TDP1THRBMEN1

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-20170349532-A1 CATIONIC LIPID KYOWA HAKKO KIRIN CO., LTD. (JP) 2017-12-07 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-20170349532-A1 CATIONIC LIPID LPAR3, ACOX3, H1-3 GBA1 407/4885ALDH1A1 3173/4885TDP1 2676/4885

“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.