SCHEMBL2960487

SCHEMBL2960487

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HPGD P15428 5/20 0.40
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
GABRA1 P14867 2/20 0.39
GABRB2 P47870 2/20 0.39
CTNNB1 P35222 1/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
EDNRB P24530 3/20 0.39
TP53 P04637 1/20 0.39
DHODH Q02127 1/20 0.39
EDNRA P25101 1/20 0.39
FABP3 P05413 1/20 0.38
FABP4 P15090 1/20 0.38
FABP5 Q01469 1/20 0.38
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL2957205 0.89 CTNNB1 (0.46) HPGDALDH1A1KDM4ECTNNB1PKM
Ammonia Solution, Strong SCHEMBL6532360 0.88 CTNNB1 (0.46) HPGDALDH1A1KDM4ECTNNB1PKM
SCHEMBL2952044 0.86 PARP1 (0.46) NPC1RAB9AHPGDALDH1A1KDM4E
SCHEMBL2954675 0.85 FABP3 (0.40) HPGDALDH1A1KDM4ECTNNB1PKM
SCHEMBL2954105 0.85 ALDH1A1 (0.49) NPC1RAB9AHPGDALDH1A1KDM4E
SCHEMBL7659655 0.81 ALDH1A1 (0.46) NPC1RAB9AHPGDALDH1A1KDM4E
SCHEMBL2955515 0.81 ALDH1A1 (0.47) NPC1RAB9AHPGDALDH1A1KDM4E
SCHEMBL2952361 0.79 PARP1 (0.47) NPC1RAB9AALDH1A1CTNNB1MAPK1
SCHEMBL2954102 0.78 KMT2A (0.48) NPC1RAB9AHPGDALDH1A1KDM4E
SCHEMBL8072530 0.77 GPR35 (0.46) NPC1RAB9AHPGDALDH1A1KDM4E

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
WO-2005107742-A1 NOVEL ANTIVIRAL HELIOXANTHIN ANALOGS YALE UNIVERSITY (US) 2005-11-17 WO 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

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 NPC1 1225/4885RAB9A 1083/4885HPGD 818/4885

“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.