SCHEMBL6181838

SCHEMBL6181838

COc1ccc(OCC(=O)c2ccccc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.73
RAB9A P51151 4/20 0.73
MAPT P10636 3/20 0.73
SMN1; SMN2 Q16637 2/20 0.73
ALDH1A1 P00352 2/20 0.63
HTT P42858 1/20 0.63
HSD17B10 Q99714 1/20 0.63
KMT2A Q03164 3/20 0.62
LMNA P02545 1/20 0.62
MEN1 O00255 2/20 0.60
POLB P06746 1/20 0.60
BLM P54132 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.59
CES2 O00748 1/20 0.59
CES1 P23141 1/20 0.59

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
SCHEMBL7168347 0.95 MAPT (0.71) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL21100591 0.91 MAPT (0.73) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL9786970 0.91 MAPT (0.74) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL31357491 0.90 MAPT (0.78) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
Methoxymethane SCHEMBL27278268 0.89 MAPT (0.73) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL23906975 0.88 NPC1 (0.62) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL1068092 0.87 MAPT (0.69) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL3732530 0.86 NPC1 (0.69) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL29446640 0.86 MAPT (0.69) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL8136104 0.85 MAPT (0.67) NPC1RAB9AMAPTSMN1; SMN2KMT2A

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116159578-A Iron catalyst for catalyzing oxidative cleavage of lignin model to produce phenol and ester and application thereof 天津理工大学 2023-05-26 CN claimed
CN-115697053-A Biocide composition 巴斯夫欧洲公司 2023-02-03 CN claimed
CN-116375641-A C3-phenoxy substituted quinoline compound and synthetic method and application thereof 杭州师范大学 2023-07-04 CN disclosed
CN-116159578-A Iron catalyst for catalyzing oxidative cleavage of lignin model to produce phenol and ester and application thereof 天津理工大学 2023-05-26 CN disclosed
US-9212199-B2 Catalyst compounds THE UNIVERSITY OF LIVERPOOL (GB) 2015-12-15 US disclosed
US-9212199-B2 Catalyst compounds THE UNIVERSITY OF LIVERPOOL (GB) 2015-12-15 US disclosed
US-20150080592-A1 CATALYST COMPOUNDS THE UNIVERSITY OF LIVERPOOL (GB) 2015-03-19 US disclosed
US-20150080592-A1 CATALYST COMPOUNDS THE UNIVERSITY OF LIVERPOOL (GB) 2015-03-19 US disclosed
WO-2013153407-A1 CATALYST COMPOUNDS THE UNIVERSITY OF LIVERPOOL (GB) 2013-10-17 WO disclosed
US-20120074396-A1 ELECTROACTIVE MATERIALS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-03-29 US disclosed
US-8115200-B2 Electroactive materials E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-02-14 US disclosed
US-20020091264-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2002-07-11 US disclosed
EP-1061921-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-27 EP disclosed
EP-1025090-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2000-11-08 EP disclosed
EP-1025090-A1 VITRONECTIN RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2000-08-09 EP disclosed
WO-1999045927-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-09-16 WO disclosed
WO-1999015508-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-04-01 WO disclosed
US-5120783-A Hydrotalcite, zinc compound, magnesium hydroxide and beta-diketone compound and/or phosphite compound; discoloration inhibition, radiation transparent and heat resistance KYOWA CHEMICAL INDUSTRY CO., LTD. (JP) 1992-06-09 US disclosed
EP-0432495-A1 Stabilized halogen-containing resin composition KYOWA CHEMICAL INDUSTRY CO., LTD. (JP) 1991-06-19 EP disclosed
US-4988662-A MULTILAYER ELEMENT OF A COATED SUBSTRATE, A FILM WITH A COLOR-FORMING LACTONE, AN ACID AND A SENSITIZER DAINIPPON INK AND CHEMICALS, INC. (JP) 1991-01-29 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 (3 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-20020091264-A1 Vitronectin receptor antagonists CALCR, ADGRF1, CALCRL NPC1 1061/4885RAB9A 1860/4885MAPT 3004/4885
US-20120074396-A1 ELECTROACTIVE MATERIALS KCNN4, RCOR3, HCN4 NPC1 4025/4885RAB9A 1090/4885MAPT 4120/4885
US-20150080592-A1 CATALYST COMPOUNDS IDH3B, IDH2, NQO1 NPC1 2868/4885RAB9A 857/4885MAPT 4290/4885

“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.