SCHEMBL17320587

SCHEMBL17320587

CCC(C)OCc1ccco1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
GAA P10253 3/20 0.42
LMNA P02545 1/20 0.40
CYP2D6 P10635 1/20 0.40
HTT P42858 3/20 0.38
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
MAPT P10636 2/20 0.35
TP53 P04637 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
HPGD P15428 1/20 0.35
ACACB O00763 1/20 0.35
MAPK1 P28482 2/20 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
SCHEMBL6237784 0.82 ALDH1A1 (0.52) ALDH1A1SLC1A3SLC1A2SLC1A1GAA
SCHEMBL17042681 0.80 ALDH1A1 (0.41) ALDH1A1SLC1A3SLC1A2SLC1A1GAA
SCHEMBL1845031 0.79 ALDH1A1 (0.53) ALDH1A1SLC1A3SLC1A2SLC1A1GAA
SCHEMBL10781883 0.78 ALDH1A1 (0.45) ALDH1A1SLC1A3SLC1A2SLC1A1GAA
SCHEMBL12611235 0.78 SLC1A3 (0.55) ALDH1A1SLC1A3SLC1A2SLC1A1GAA
SCHEMBL28835773 0.78 ALDH1A1 (0.47) ALDH1A1SLC1A3SLC1A2SLC1A1GAA
SCHEMBL4620314 0.76 ALDH1A1 (0.50) ALDH1A1SLC1A3SLC1A2SLC1A1GAA
SCHEMBL19251019 0.76 ALDH1A1 (0.46) ALDH1A1SLC1A3SLC1A2SLC1A1GAA
SCHEMBL4620318 0.76 ALDH1A1 (0.50) ALDH1A1SLC1A3SLC1A2SLC1A1GAA
SCHEMBL17320590 0.76 NPC1 (0.36) CYP2D6HTTCYP2C19KMT2ASMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116351416-B Non-noble metal catalyst for preparing furfurether by etherification of furfuraldehyde, and preparation method and use method thereof 郑州大学 2024-08-13 CN disclosed
CN-116351416-A Non-noble metal catalyst for preparing furfurether by etherification of furfuraldehyde, and preparation method and use method thereof 郑州大学 2023-06-30 CN disclosed
US-20150353518-A1 CATALYST AND CATALYTIC PROCESS FOR THE ETHERIFICATION/REDUCTION OF FURFURYL DERIVATIVES TO TETRAHYDROFURFURYL ETHERS UNIVERSITAT POLITECNICA DE VALENCIA (ES) 2015-12-10 US disclosed
US-20150353518-A1 CATALYST AND CATALYTIC PROCESS FOR THE ETHERIFICATION/REDUCTION OF FURFURYL DERIVATIVES TO TETRAHYDROFURFURYL ETHERS UNIVERSITAT POLITECNICA DE VALENCIA (ES) 2015-12-10 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-20150353518-A1 CATALYST AND CATALYTIC PROCESS FOR THE ETHERIFICATION/REDUCTION OF FURFURYL DERIVATIVES TO TETRAHYDROFURFURYL ETHERS ADH1A, ADH1C, ADH5 ALDH1A1 134/4885SLC1A3 4860/4885SLC1A2 4845/4885

“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.