SCHEMBL2957205

SCHEMBL2957205

O=C(O)c1cc2ccc3c(c2c(-c2ccc4c(c2)OCO4)c1C(=O)O)OCO3

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.46
TP53 P04637 2/20 0.46
DHODH Q02127 1/20 0.46
ALDH1A1 P00352 4/20 0.44
MAPK1 P28482 1/20 0.44
FABP4 P15090 2/20 0.44
FABP3 P05413 1/20 0.44
FABP5 Q01469 1/20 0.44
KDM4E B2RXH2 4/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
MC4R P32245 1/20 0.43
PPARG P37231 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41

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
Ammonia Solution, Strong SCHEMBL6532360 0.99 CTNNB1 (0.46) CTNNB1TP53DHODHALDH1A1MAPK1
SCHEMBL2952044 0.92 PARP1 (0.46) CTNNB1TP53DHODHALDH1A1MAPK1
SCHEMBL2954675 0.89 FABP3 (0.40) CTNNB1TP53DHODHALDH1A1MAPK1
SCHEMBL2960487 0.89 NPC1 (0.41) CTNNB1TP53DHODHALDH1A1MAPK1
SCHEMBL2955515 0.89 ALDH1A1 (0.47) CTNNB1TP53DHODHALDH1A1MAPK1
SCHEMBL2954105 0.89 ALDH1A1 (0.49) CTNNB1TP53ALDH1A1MAPK1FABP4
SCHEMBL7659655 0.87 ALDH1A1 (0.46) CTNNB1TP53DHODHALDH1A1MAPK1
SCHEMBL6532374 0.86 CTNNB1 (0.41) CTNNB1TP53DHODHALDH1A1MAPK1
SCHEMBL8072530 0.85 GPR35 (0.46) ALDH1A1KDM4EKMT2APOLBHPGD
SCHEMBL8082276 0.85 FABP4 (0.38) CTNNB1TP53DHODHALDH1A1MAPK1

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 CTNNB1 3055/4885TP53 1292/4885DHODH 74/4885

“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.