SCHEMBL3821169

SCHEMBL3821169

COC(=O)c1ccc(-c2cc(C)c(O)c(C)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.56
CA1 P00915 6/20 0.55
CA2 P00918 6/20 0.55
CA12 O43570 4/20 0.55
CA9 Q16790 4/20 0.55
CA14 Q9ULX7 4/20 0.55
CA7 P43166 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
EGFR P00533 1/20 0.54
XDH P47989 2/20 0.50
SLC2A1 P11166 1/20 0.49
KDM4E B2RXH2 2/20 0.49
LMNA P02545 2/20 0.49
GAA P10253 2/20 0.49
MAPT P10636 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL15600624 0.86 ERN1 (0.73) ERN1ALDH1A1
SCHEMBL10009170 0.85 CA1 (0.61) ERN1CA1CA2CA12CA9
SCHEMBL16749645 0.85 CA1 (0.61) ERN1CA1CA2CA12CA9
SCHEMBL19608964 0.84 TDP1 (0.53) ERN1CA1CA2CA12CA9
SCHEMBL498118 0.84 ERN1 (0.65) ERN1CA1CA2CA12CA9
SCHEMBL13830583 0.84 TDP1 (0.57) ERN1CA1CA2CA12CA9
SCHEMBL19387238 0.82 CA1 (0.70) ERN1CA1CA2CA12CA9
Biphenyl Dimethyl Dicarboxylate SCHEMBL68521 0.82 CA1 (0.70) ERN1CA1CA2CA12CA9
SCHEMBL16749646 0.82 EGFR (0.62) ERN1CA1CA2CA12CA9
SCHEMBL16769662 0.81 TDP1 (0.77) ERN1CA1CA2CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372852-B2 Purines as reverse transcriptase inhibitors ARDEA BIOSCIENCES, INC. (US) 2013-02-12 US disclosed
US-8372852-B2 Purines as reverse transcriptase inhibitors ARDEA BIOSCIENCES, INC. (US) 2013-02-12 US disclosed
US-8372852-B2 Purines as reverse transcriptase inhibitors ARDEA BIOSCIENCES, INC. (US) 2013-02-12 US disclosed
US-20120277206-A1 REVERSE TRANSCRIPTASE INHIBITORS Andrea Boesciences, Inc. (US) 2012-11-01 US disclosed
US-20120277206-A1 REVERSE TRANSCRIPTASE INHIBITORS Andrea Boesciences, Inc. (US) 2012-11-01 US disclosed
US-20120277206-A1 REVERSE TRANSCRIPTASE INHIBITORS Andrea Boesciences, Inc. (US) 2012-11-01 US disclosed
EP-2220091-B1 REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES INC (US) 2012-07-25 EP disclosed
US-8207178-B2 Fused pyrimidines as reverse transcriptase inhibitors ARDEA BIOSCIENCES, INC. (US) 2012-06-26 US disclosed
US-8207178-B2 Fused pyrimidines as reverse transcriptase inhibitors ARDEA BIOSCIENCES, INC. (US) 2012-06-26 US disclosed
US-8207178-B2 Fused pyrimidines as reverse transcriptase inhibitors ARDEA BIOSCIENCES, INC. (US) 2012-06-26 US disclosed
EP-2220091-A2 REVERSE TRANSCRIPTASE INHIBITORS Ardea Biosciences, Inc. (US) 2010-08-25 EP disclosed
WO-2009079412-A2 REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES INC. (US) 2009-06-25 WO disclosed
WO-2009079412-A2 REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES INC. (US) 2009-06-25 WO disclosed
US-20090162319-A1 REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES (US) 2009-06-25 US disclosed
US-20090162319-A1 REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES (US) 2009-06-25 US disclosed
US-20090162319-A1 REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES (US) 2009-06-25 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 (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-20120277206-A1 REVERSE TRANSCRIPTASE INHIBITORS POLRMT, POLR1E, TYMP ERN1 182/4885CA1 4177/4885CA2 4650/4885
US-20090162319-A1 REVERSE TRANSCRIPTASE INHIBITORS POLRMT, POLR1E, TYMP ERN1 182/4885CA1 4177/4885CA2 4650/4885

“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.