SCHEMBL3373405

SCHEMBL3373405

CCOc1cc2ccccc2c[n+]1[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TLR8 Q9NR97 1/20 0.40
ALDH1A1 P00352 2/20 0.37
LTA4H P09960 1/20 0.37
NQO1 P15559 1/20 0.37
KMT2A Q03164 5/20 0.36
RAB9A P51151 1/20 0.36
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2A6 P11509 1/20 0.34
RELA Q04206 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL1536284 0.81 CYP1A2 (0.42) TDP1L3MBTL1TLR8ALDH1A1NQO1
SCHEMBL9618880 0.71 LMNA (0.39) TDP1L3MBTL1ALDH1A1LTA4HNQO1
SCHEMBL31094415 0.70 CYP2D6 (0.47) GAATDP1L3MBTL1ALDH1A1KMT2A
SCHEMBL638086 0.70 CYP2D6 (0.47) GAATDP1L3MBTL1ALDH1A1KMT2A
SCHEMBL28122256 0.69 KMT2A (0.43) ALDH1A1LTA4HNQO1KMT2ARAB9A
SCHEMBL3818602 0.69 TLR8 (0.58) TDP1L3MBTL1TLR8ALDH1A1LTA4H
SCHEMBL2422493 0.69 ATM (0.41) TDP1L3MBTL1ALDH1A1KMT2ACYP3A4
SCHEMBL23860809 0.68 SLC2A1 (0.39) GAAMAPK1TDP1L3MBTL1TLR8
SCHEMBL1697641 0.68 HPGD (0.36) GAAALDH1A1NQO1CA12CA1
SCHEMBL10981311 0.66 CYP2A6 (0.39) TDP1L3MBTL1ALDH1A1KMT2ACYP1A2

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 6 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
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
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 GAA 151/4885MAPK1 3854/4885TDP1 1330/4885
US-20140051626-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 GAA 151/4885MAPK1 3854/4885TDP1 1330/4885

“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.