SCHEMBL2955149

SCHEMBL2955149

O=C(O)c1cc2ccc3c(c2c(-c2ccc4c(c2)OCO4)c1CO)OCO3.[Na]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.51
CTNNB1 P35222 1/20 0.43
TP53 P04637 1/20 0.42
DHODH Q02127 1/20 0.42
FABP4 P15090 2/20 0.41
FABP3 P05413 1/20 0.41
FABP5 Q01469 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
MC4R P32245 1/20 0.40
PPARG P37231 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
NCOR2 Q9Y618 1/20 0.40

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
SCHEMBL2955144 0.98 ALOX5 (0.51) ALOX5CTNNB1TP53DHODHFABP4
SCHEMBL2955145 0.88 ALOX5 (0.50) ALOX5CTNNB1TP53DHODHFABP4
SCHEMBL6913771 0.86 ALOX5 (0.48) ALOX5KDM4EALDH1A1PKMHPGD
SCHEMBL2957205 0.84 CTNNB1 (0.46) ALOX5CTNNB1TP53DHODHFABP4
SCHEMBL6913485 0.83 ALOX5 (0.72) ALOX5KDM4EALDH1A1EDNRBEDNRA
SCHEMBL6914615 0.83 TARBP2 (0.46) ALOX5TP53KDM4EALDH1A1PKM
SCHEMBL2960587 0.83 ALOX5 (0.47) ALOX5CTNNB1TP53DHODHFABP4
SCHEMBL2955440 0.83 ALOX5 (0.47) ALOX5CTNNB1TP53DHODHFABP4
Ammonia Solution, Strong SCHEMBL6532360 0.83 CTNNB1 (0.46) ALOX5CTNNB1TP53DHODHFABP4
SCHEMBL7659655 0.83 ALDH1A1 (0.46) ALOX5CTNNB1TP53DHODHFABP4

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 2383/4885CTNNB1 3055/4885TP53 1292/4885

“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.