SCHEMBL6236004

SCHEMBL6236004

O=C(O)C1CCCCC1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.51
TAAR1 Q96RJ0 2/20 0.49
PSEN1 P49768 2/20 0.47
PSEN2 P49810 2/20 0.47
APH1B Q8WW43 2/20 0.47
NCSTN Q92542 2/20 0.47
APH1A Q96BI3 2/20 0.47
PSENEN Q9NZ42 2/20 0.47
KDM4E B2RXH2 2/20 0.45
NPC1 O15118 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TACR1 P25103 1/20 0.45
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 0.45
RECQL P46063 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KCNA5 P22460 1/20 0.44
SGMS2 Q8NHU3 1/20 0.44

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
SCHEMBL1723646 0.97 RAB9A (0.48) RAB9ATAAR1PSEN1PSEN2APH1B
SCHEMBL1723643 0.97 RAB9A (0.48) RAB9ATAAR1PSEN1PSEN2APH1B
SCHEMBL1723644 0.97 RAB9A (0.48) RAB9ATAAR1PSEN1PSEN2APH1B
SCHEMBL1029043 0.88 TACR1 (0.47) RAB9ATAAR1PSEN1PSEN2APH1B
SCHEMBL2837927 0.88 TACR1 (0.47) RAB9ATAAR1PSEN1PSEN2APH1B
SCHEMBL2846210 0.88 TACR1 (0.47) RAB9ATAAR1PSEN1PSEN2APH1B
SCHEMBL24335872 0.84 PSEN1 (0.45) RAB9APSEN1PSEN2APH1BNCSTN
SCHEMBL2842365 0.84 TACR1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2838269 0.84 TACR1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4083000 0.84 TACR1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6927290-B2 Production of mixed acid anhydride and amide compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-08-09 US disclosed
EP-1160236-B1 Production of mixed acid anhydride and amine compound SUMITOMO CHEMICAL CO (JP) 2005-05-25 EP disclosed
US-20040210059-A1 Production of mixed acid anhydride and amide compound SUMITOMO CHEMICAL COMPANY, LIMITED 2004-10-21 US disclosed
US-6753431-B2 REACTING A CARBAMATE DERIVATIVE WITH CARBOXYLIC AND HALOFORMIC ACID DERIVATIVES SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2004-06-22 US disclosed
US-20020032346-A1 Production of mixed acid anhydride and amide compound SUMITOMO CHEMICAL CO., LTD. 2002-03-14 US disclosed
EP-1160236-A2 Production of mixed acid anhydride and amine compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-12-05 EP 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-20040210059-A1 Production of mixed acid anhydride and amide compound CA2, CA1, CA3 RAB9A 1755/4885TAAR1 1233/4885PSEN1 3645/4885
US-20020032346-A1 Production of mixed acid anhydride and amide compound CA2, CA1, CA3 RAB9A 1755/4885TAAR1 1233/4885PSEN1 3645/4885

“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.