SCHEMBL8140232

SCHEMBL8140232

COc1ccc(COc2cc(OCC(OC)OC)nc3c(Cl)cccc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.40
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 4/20 0.40
MAPT P10636 4/20 0.40
HPGD P15428 4/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
ABCB1 P08183 1/20 0.37
PPARG P37231 1/20 0.37
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36

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
SCHEMBL8280354 0.91 PDE2A (0.41) PDE2AALDH1A1KDM4EMAPTHPGD
SCHEMBL3375196 0.83 PDE2A (0.40) PDE2AALDH1A1KDM4EMAPTHPGD
SCHEMBL3370396 0.77 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTHPGDKMT2A
SCHEMBL3370400 0.77 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTHPGDKMT2A
SCHEMBL3371049 0.77 ALDH1A1 (0.41) PDE2AALDH1A1KDM4EMAPTHPGD
SCHEMBL8145393 0.76 NR4A2 (0.37) ALDH1A1KDM4EMAPTHPGDKMT2A
SCHEMBL3371451 0.76 MAPT (0.41) ALDH1A1KDM4EMAPTHPGDKMT2A
SCHEMBL3373629 0.73 MAPT (0.39) ALDH1A1KDM4EMAPTHPGDKMT2A
SCHEMBL26731735 0.72 MAPT (0.48) PDE2AALDH1A1KDM4EMAPTHPGD
SCHEMBL8131306 0.71 CRHR1 (0.43) ALDH1A1KDM4EMAPTHPGDKMT2A

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-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-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

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 PDE2A 4006/4885ALDH1A1 3957/4885KDM4E 2496/4885
US-20140051626-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 PDE2A 4006/4885ALDH1A1 3957/4885KDM4E 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.