SCHEMBL26480965

SCHEMBL26480965

CCCCOc1ccc(C(=O)OC)cc1OC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.52
SMPD1 P17405 4/20 0.49
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
PKM P14618 1/20 0.49
MAPT P10636 3/20 0.49
TSHR P16473 3/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KMT2A Q03164 1/20 0.48
CASP1 P29466 1/20 0.47
CYP1A2 P05177 2/20 0.45
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
CYP2D6 P10635 1/20 0.45
SLC6A2 P23975 1/20 0.45

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
SCHEMBL8360925 0.90 SMPD1 (0.58) MGLLSMPD1RAB9ANPC1MAPT
SCHEMBL5216700 0.87 MGLL (0.62) MGLLSMPD1RAB9ANPC1SMN1; SMN2
SCHEMBL18660055 0.86 HDAC3 (0.59) MGLLSMPD1RAB9ANPC1TSHR
SCHEMBL7335792 0.85 SMPD1 (0.64) MGLLSMPD1ALDH1A1HPGDTHRA
SCHEMBL24950547 0.84 SMPD1 (0.67) MGLLSMPD1ALDH1A1HPGDTHRA
SCHEMBL9565566 0.84 SMPD1 (0.67) MGLLSMPD1ALDH1A1HPGDTHRA
SCHEMBL13461264 0.84 SMPD1 (0.67) MGLLSMPD1MAPTGAAKMT2A
SCHEMBL967401 0.84 SMPD1 (0.67) MGLLSMPD1ALDH1A1HPGDTHRA
SCHEMBL9304902 0.84 SMPD1 (0.67) MGLLSMPD1ALDH1A1HPGDTHRA
SCHEMBL14930505 0.83 SMPD1 (0.65) MGLLSMPD1SMN1; SMN2MAPTTSHR

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-11643405-B2 Compound for treatment or prevention of liver diseases JIANGSU ATOM BIOSCIENCE AND PHARMACEUTICAL CO., LTD. (CN) 2023-05-09 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-11643405-B2 Compound for treatment or prevention of liver diseases SLC10A1, GYS2, CPT1A MGLL 920/4885SMPD1 1078/4885RAB9A 1122/4885

“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.