SCHEMBL3607303

SCHEMBL3607303

N#Cc1cccc(Oc2cc(O)cc(Cl)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
CYP19A1 P11511 1/20 0.43
EPAS1 Q99814 5/20 0.43
HSP90AA1 P07900 1/20 0.42
AR P10275 2/20 0.42
MRGPRX4 Q96LA9 1/20 0.39
VEGFA P15692 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
EGLN2 Q96KS0 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
PRSS1 P07477 1/20 0.38
ACR P10323 1/20 0.38
MGLL Q99685 1/20 0.37
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
MAP4K4 O95819 1/20 0.37
SLC6A2 P23975 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
SCHEMBL3608019 0.85 KCNH2 (0.45) EPAS1HSP90AA1VEGFA
SCHEMBL13140964 0.85 KCNH2 (0.42) EPAS1HSP90AA1VEGFA
SCHEMBL921055 0.84 CYP19A1 (0.56) PDE4APDE4BPDE4CPDE4DCYP19A1
SCHEMBL12943413 0.84 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DEPAS1
SCHEMBL3600097 0.82 AR (0.46) PDE4APDE4BPDE4CPDE4DCYP19A1
SCHEMBL27731949 0.82 AR (0.49) PDE4APDE4BPDE4CPDE4DEPAS1
SCHEMBL8379001 0.80 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DCYP19A1
SCHEMBL7074601 0.79 AR (0.54) PDE4APDE4BPDE4CPDE4DCYP19A1
SCHEMBL921796 0.79 AR (0.50) PDE4APDE4BPDE4CPDE4DCYP19A1
SCHEMBL7077060 0.79 CYP11B1 (0.44) PDE4APDE4BPDE4CPDE4DCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7807684-B2 HIV reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2010-10-05 US disclosed
US-7807684-B2 HIV reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2010-10-05 US disclosed
US-7807684-B2 HIV reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2010-10-05 US disclosed
CN-101228120-A HIV reverse transcriptase inhibitors MERCK & CO INC (US) 2008-07-23 CN disclosed
EP-1912935-A2 HIV REVERSE TRANSCRIPTASE INHIBITORS Merck & Co., Inc. (US) 2008-04-23 EP disclosed
WO-2007015809-A2 HIV REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2007-02-08 WO disclosed
WO-2007015809-A2 HIV REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2007-02-08 WO disclosed
US-20070021442-A1 HIV reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. 2007-01-25 US disclosed
US-20070021442-A1 HIV reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. 2007-01-25 US disclosed
US-20070021442-A1 HIV reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. 2007-01-25 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 (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-20070021442-A1 HIV reverse transcriptase inhibitors POLRMT, RNGTT, POLR2E PDE4A 1493/4885PDE4B 2190/4885PDE4C 1687/4885

“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.