SCHEMBL21145495

SCHEMBL21145495

CC(C)OCc1ccc(COC(C)C)o1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.34
RAB9A P51151 8/20 0.34
POLB P06746 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALOX5 P09917 2/20 0.33
KMT2A Q03164 3/20 0.32
L3MBTL1 Q9Y468 3/20 0.31
MEN1 O00255 1/20 0.30
HSP90AA1 P07900 1/20 0.30
ACHE P22303 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL17262611 0.89 ALDH1A1 (0.38) NPC1RAB9APOLBKDM4EALOX5
SCHEMBL28158099 0.87 CHRM2 (0.45) NPC1RAB9APOLBKDM4EALOX5
SCHEMBL12394802 0.87 ALOX5 (0.36) NPC1RAB9APOLBKDM4EALOX5
SCHEMBL18742860 0.85 ALOX5 (0.33) NPC1RAB9APOLBKDM4EALOX5
SCHEMBL3058101 0.80 ALDH1A1 (0.52) NPC1RAB9APOLBKDM4EALOX5
SCHEMBL28157664 0.80 ALOX5 (0.39) NPC1RAB9APOLBALOX5L3MBTL1
SCHEMBL17320590 0.79 NPC1 (0.36) NPC1RAB9APOLBKDM4EALOX5
SCHEMBL18720617 0.78 LMNA (0.51) NPC1RAB9APOLBKDM4EKMT2A
SCHEMBL13981367 0.76 HTT (0.65) NPC1RAB9AKDM4EKMT2AL3MBTL1
SCHEMBL3654148 0.73 NPC1 (0.34) NPC1RAB9AKDM4EALOX5KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115991718-A Zirconium-organic coordination bifunctional catalyst, preparation method and application thereof in one-pot reduction etherification reaction of 5-hydroxymethylfurfural 淮阴师范学院 2023-04-21 CN claimed
CN-111266135-B Multifunctional acid catalyst and preparation method and application thereof 厦门大学 2021-05-14 CN claimed
CN-111266135-A Multifunctional acid catalyst and preparation method and application thereof 厦门大学 2020-06-12 CN claimed
CN-119186595-A Method for preparing furfuryl alcohol and isopropyl furfuryl ether by high-efficiency selective conversion of furfural 淮阴师范学院 2024-12-27 CN disclosed
CN-115991718-B Zirconium-organic coordination bifunctional catalyst, preparation method and application thereof in one-pot reduction etherification reaction of 5-hydroxymethylfurfural 淮阴师范学院 2024-10-22 CN disclosed
CN-118026968-A High-purity furan diether and preparation method thereof 陕西科技大学 2024-05-14 CN disclosed
CN-117816197-A Sulfonic acid functionalized zirconium-carbon coordination catalyst, preparation method and application thereof in synthesis of furyl diether liquid fuel 淮阴师范学院 2024-04-05 CN disclosed
CN-113209986-B Supported zirconium-based catalyst, preparation method and application 陕西科技大学 2023-11-10 CN disclosed
CN-115991718-A Zirconium-organic coordination bifunctional catalyst, preparation method and application thereof in one-pot reduction etherification reaction of 5-hydroxymethylfurfural 淮阴师范学院 2023-04-21 CN disclosed
CN-111266135-B Multifunctional acid catalyst and preparation method and application thereof 厦门大学 2021-05-14 CN disclosed
CN-111266135-B Multifunctional acid catalyst and preparation method and application thereof 厦门大学 2021-05-14 CN disclosed
CN-111266135-A Multifunctional acid catalyst and preparation method and application thereof 厦门大学 2020-06-12 CN disclosed
CN-111266135-A Multifunctional acid catalyst and preparation method and application thereof 厦门大学 2020-06-12 CN disclosed
US-10428038-B2 Single step process for the synthesis of furfuryl ethyl ether COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2019-10-01 US disclosed
US-20190218195-A1 SINGLE STEP PROCESS FOR THE SYNTHESIS OF FURFURYL ETHYL ETHER COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2019-07-18 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 (2 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-20190218195-A1 SINGLE STEP PROCESS FOR THE SYNTHESIS OF FURFURYL ETHYL ETHER ADH1A, SBK1, ADH5 NPC1 2972/4885RAB9A 2083/4885POLB 1208/4885
US-10428038-B2 Single step process for the synthesis of furfuryl ethyl ether ADH1A, SBK1, ADH5 NPC1 2972/4885RAB9A 2083/4885POLB 1208/4885

“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.