SCHEMBL6136820

SCHEMBL6136820

CCOc1cccc(-c2[c]ccc(OC)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42

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
SCHEMBL323109 0.89 DYRK1A (0.49) DYRK1ACLK4KDM4EGAACYP3A4
SCHEMBL18239968 0.85 MAPT (0.43) RXRARXRBKDM4EGAAMAPT
SCHEMBL6382918 0.83 CYP11B1 (0.44) KDM4EGAAMAPTTDP1PDGFRB
SCHEMBL8527534 0.83 NQO1 (0.45) KDM4EGAAMAPTTDP1TUBB4A
SCHEMBL6194180 0.83 TTK (0.43) RXRARXRBKDM4EGAAMAPT
SCHEMBL3197832 0.82 KDM4E (0.43) RXRARXRBKDM4EGAAMAPT
SCHEMBL6963144 0.80 MAPT (0.47) RXRARXRBKDM4EGAAMAPT
SCHEMBL8780023 0.80 NFE2L2 (0.45) DYRK1ACLK4GAACYP3A4NOTUM
SCHEMBL8384916 0.79 RXRA (0.44) DYRK1ACLK4RXRARXRBMAPT
SCHEMBL15067112 0.79 NQO1 (0.48) KDM4EMAPTTDP1TP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050234041-A1 Substituted 1-benzazepines and derivatives thereof BIOPORT R&D, INC. 2005-10-20 US disclosed
EP-1392317-A4 SUBSTITUTED 1-BENZAZEPINES AND DERIVATIVES THEREOF ANTEXPHARMA INC (US) 2005-10-19 EP disclosed
EP-1229913-A4 SUBSTITUTED 1-BENZAZEPINES AND DERIVATIVES THEREOF ANTEXPHARMA INC (US) 2005-01-19 EP disclosed
EP-1392317-A2 SUBSTITUTED 1-BENZAZEPINES AND DERIVATIVES THEREOF Antexpharma, Inc. (US) 2004-03-03 EP disclosed
US-6514965-B1 For treating bacterial infections ANTEX PHARMA INC. 2003-02-04 US disclosed
WO-2002100327-A2 SUBSTITUTED 1-BENZAZEPINES AND DERIVATIVES THEREOF ANTEXPHARMA, INC. (US) 2002-12-19 WO disclosed
EP-1229913-A1 SUBSTITUTED 1-BENZAZEPINES AND DERIVATIVES THEREOF Antexpharma, Inc. (US) 2002-08-14 EP disclosed
WO-2001035964-A1 SUBSTITUTED 1-BENZAZEPINES AND DERIVATIVES THEREOF ANTEXPHARMA, INC. (US) 2001-05-25 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 (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-20050234041-A1 Substituted 1-benzazepines and derivatives thereof BAK1, BAD, BAX DYRK1A 3543/4885CLK4 2885/4885RXRA 4254/4885

“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.