SCHEMBL3695265

SCHEMBL3695265

O=C([O-])c1cc(-c2ccc(F)cc2)ccc1O.O=C([O-])c1cc(-c2ccc(F)cc2)ccc1O.O=C([O-])c1cc(-c2ccc(F)cc2)ccc1O.[Al+3]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACMSD Q8TDX5 4/20 0.49
▸ MCL1 Q07820 4/20 0.49
▸ DHFR P00374 2/20 0.49
▸ HNF4A P41235 1/20 0.49
▸ CA1 P00915 3/20 0.47
▸ CA2 P00918 3/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ USP2 O75604 1/20 0.47
▸ TTR P02766 1/20 0.47
▸ ALB P02768 1/20 0.47
▸ HMGB1 P09429 1/20 0.47
▸ CXCL12 P48061 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ SLC22A6 Q4U2R8 1/20 0.47

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
SCHEMBL3690105 0.96 ACMSD (0.49) ACMSDMCL1DHFRHNF4ACA1
Choline SCHEMBL3696558 0.83 MCL1 (0.39) ACMSDMCL1DHFRHNF4ACA1
Diflunisal SCHEMBL11425418 0.82 ACMSD (0.73) ACMSDDHFRCA1CA2KDM4E
SCHEMBL330405 0.81 ACMSD (0.72) ACMSDMCL1DHFRHNF4ACA1
SCHEMBL428615 0.81 ALDH1A1 (0.52) ACMSDDHFRCA1CA2KDM4E
SCHEMBL3690106 0.80 ACMSD (0.70) ACMSDMCL1DHFRHNF4ACA1
SCHEMBL3691427 0.80 CHUK (0.67) ACMSDMCL1DHFRHNF4ACA1
Zinc Ion SCHEMBL9652815 0.80 ACMSD (0.70) ACMSDMCL1DHFRHNF4AKDM4E
SCHEMBL3695268 0.80 ACMSD (0.70) ACMSDMCL1DHFRHNF4ACA1
Diflunisal SCHEMBL11411706 0.79 ACMSD (0.73) ACMSDDHFRCA1CA2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795310-B2 Methods and reagents for the treatment of metabolic disorders COMBINATORX, INC. (US) 2010-09-14 — — US disclosed
US-20060069161-A1 Methods and reagents for the treatment of metabolic disorders COMBINATORX, INC. (US) 2006-03-30 — — 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-20060069161-A1 Methods and reagents for the treatment of metabolic disorders LIPC, PNLIP, GOT2 ACMSD 3350/4885MCL1 3721/4885DHFR 960/4885

“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.

Send feedback