SCHEMBL3370396

SCHEMBL3370396

CCNc1cc(OCc2ccc(OC)cc2)c2cccc(Cl)c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
MAPT P10636 6/20 0.41
KDM4E B2RXH2 6/20 0.41
HPGD P15428 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KCNH2 Q12809 1/20 0.39
CACNA1C Q13936 1/20 0.39
SCN5A Q14524 1/20 0.39
ABCB1 P08183 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
CYP1A2 P05177 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
SCHEMBL3373629 0.88 MAPT (0.39) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL13763663 0.84 PGK1 (0.45) ALDH1A1KDM4ESMN1; SMN2KCNH2CACNA1C
SCHEMBL3371451 0.82 MAPT (0.41) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL3371049 0.80 ALDH1A1 (0.41) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL3370400 0.78 ALDH1A1 (0.48) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL8280354 0.77 PDE2A (0.41) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL8140232 0.77 PDE2A (0.40) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL3375196 0.77 PDE2A (0.40) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL13757505 0.76 NR4A2 (0.44) ALDH1A1MAPTKDM4ESMN1; SMN2LMNA
SCHEMBL13763626 0.74 NR4A2 (0.43) ALDH1A1MAPTKDM4ESMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809267-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-08-19 US disclosed
US-20140051626-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 US disclosed
US-8513186-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-08-20 US disclosed
US-8513186-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-08-20 US disclosed
EP-2162432-A2 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2010-03-17 EP disclosed
US-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 US disclosed
US-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 US disclosed
WO-2009005677-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2009-01-08 WO disclosed
WO-2009005677-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2009-01-08 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 (2 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-20090186869-A1 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 ALDH1A1 3957/4885MAPT 2923/4885KDM4E 2496/4885
US-20140051626-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ALDH1A1 3957/4885MAPT 2923/4885KDM4E 2496/4885

“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.