SCHEMBL2952044

SCHEMBL2952044

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.46
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 1/20 0.42
CTNNB1 P35222 1/20 0.41
TP53 P04637 1/20 0.41
DHODH Q02127 1/20 0.41
FABP3 P05413 1/20 0.40
FABP4 P15090 1/20 0.40
FABP5 Q01469 1/20 0.40
PI4K2A Q9BTU6 1/20 0.40
KDM4E B2RXH2 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
EDNRB P24530 4/20 0.39
KMT2A Q03164 2/20 0.39
EDNRA P25101 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL2952361 0.93 PARP1 (0.47) PARP1ALDH1A1MAPK1CTNNB1TP53
SCHEMBL2957205 0.92 CTNNB1 (0.46) PARP1ALDH1A1MAPK1CTNNB1TP53
Ammonia Solution, Strong SCHEMBL6532360 0.91 CTNNB1 (0.46) PARP1ALDH1A1MAPK1CTNNB1TP53
SCHEMBL2952403 0.87 EDNRB (0.43) PARP1ALDH1A1MAPK1TP53KDM4E
SCHEMBL2954105 0.86 ALDH1A1 (0.49) ALDH1A1MAPK1CTNNB1TP53FABP3
SCHEMBL2960487 0.86 NPC1 (0.41) ALDH1A1MAPK1CTNNB1TP53DHODH
SCHEMBL2954675 0.86 FABP3 (0.40) ALDH1A1MAPK1CTNNB1TP53DHODH
SCHEMBL7657921 0.85 PARP1 (0.47) PARP1ALDH1A1CTNNB1TP53FABP3
SCHEMBL7659655 0.81 ALDH1A1 (0.46) ALDH1A1MAPK1CTNNB1TP53DHODH
SCHEMBL2955515 0.81 ALDH1A1 (0.47) ALDH1A1MAPK1CTNNB1TP53DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080167353-A1 Novel Antiviral Helioxanthin Analogs YALE UNIVERSITY (US) 2008-07-10 US claimed
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
WO-2005107742-A1 NOVEL ANTIVIRAL HELIOXANTHIN ANALOGS YALE UNIVERSITY (US) 2005-11-17 WO 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 PARP1 1095/4885ALDH1A1 1351/4885MAPK1 3900/4885

“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.