SCHEMBL2955722

SCHEMBL2955722

O=C(O)c1cc2c(Br)cc3c(c2c(-c2ccc4c(c2)OCO4)c1CO)OCO3.[NaH]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.47
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
MC4R P32245 1/20 0.42
PPARG P37231 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
TP53 P04637 1/20 0.40
DHODH Q02127 1/20 0.40
EDNRB P24530 6/20 0.39
EDNRA P25101 6/20 0.39
FABP4 P15090 2/20 0.39
FABP3 P05413 1/20 0.39
FABP5 Q01469 1/20 0.39
CTNNB1 P35222 1/20 0.38
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL2955725 0.89 ALOX5 (0.47) ALOX5KMT2AKDM4EMEN1POLB
SCHEMBL2955435 0.88 ALOX5 (0.47) ALOX5KMT2AKDM4EMEN1POLB
SCHEMBL2960583 0.88 ALOX5 (0.47) ALOX5KMT2AKDM4EMEN1POLB
SCHEMBL2955440 0.86 ALOX5 (0.47) ALOX5KMT2AKDM4EMEN1POLB
SCHEMBL2960587 0.86 ALOX5 (0.47) ALOX5KMT2AKDM4EMEN1POLB
SCHEMBL2955144 0.83 ALOX5 (0.51) ALOX5KMT2AKDM4EMEN1POLB
SCHEMBL2955149 0.81 ALOX5 (0.51) ALOX5KMT2AKDM4EMEN1POLB
SCHEMBL2955437 0.77 ALOX5 (0.47) ALOX5KMT2AEDNRBEDNRAFABP4
SCHEMBL2960584 0.77 ALOX5 (0.47) ALOX5TP53DHODHEDNRBEDNRA
SCHEMBL2955145 0.72 ALOX5 (0.50) ALOX5KDM4ETP53DHODHEDNRB

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-7754718-B2 Antiviral helioxanthin analogs YALE UNIVERSITY (US) 2010-07-13 US disclosed
US-20080167353-A1 Novel Antiviral Helioxanthin Analogs YALE UNIVERSITY (US) 2008-07-10 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-20080167353-A1 Novel Antiviral Helioxanthin Analogs HAVCR2, ZC3HAV1, DHX35 ALOX5 2383/4885KMT2A 1130/4885KDM4E 1857/4885

“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.