SCHEMBL2954675

SCHEMBL2954675

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.40
FABP4 P15090 1/20 0.40
FABP5 Q01469 1/20 0.40
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 5/20 0.39
HPGD P15428 2/20 0.39
CTNNB1 P35222 1/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 2/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
GAA P10253 3/20 0.39
LMNA P02545 1/20 0.39
EDNRB P24530 3/20 0.39
TP53 P04637 2/20 0.39
DHODH Q02127 1/20 0.39
GGT1 P19440 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
POLB P06746 3/20 0.38
MAPT P10636 1/20 0.38

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 0.90 CTNNB1 (0.46) FABP3FABP4FABP5ALDH1A1KDM4E
SCHEMBL2957205 0.89 CTNNB1 (0.46) FABP3FABP4FABP5ALDH1A1KDM4E
SCHEMBL2954105 0.87 ALDH1A1 (0.49) FABP3FABP4FABP5ALDH1A1KDM4E
SCHEMBL2952044 0.86 PARP1 (0.46) FABP3FABP4FABP5ALDH1A1KDM4E
SCHEMBL2960487 0.85 NPC1 (0.41) FABP3FABP4FABP5ALDH1A1KDM4E
SCHEMBL6913771 0.84 ALOX5 (0.48) ALDH1A1KDM4EHPGDPKMKMT2A
SCHEMBL2955515 0.83 ALDH1A1 (0.47) FABP3FABP4FABP5ALDH1A1KDM4E
SCHEMBL7659655 0.81 ALDH1A1 (0.46) FABP3FABP4FABP5ALDH1A1KDM4E
SCHEMBL2954102 0.81 KMT2A (0.48) ALDH1A1KDM4EHPGDMAPK1KMT2A
SCHEMBL2952361 0.79 PARP1 (0.47) ALDH1A1CTNNB1MAPK1TP53DHODH

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 FABP3 4031/4885FABP4 4584/4885FABP5 2804/4885

“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.