SCHEMBL6836658

SCHEMBL6836658

COc1ccc(NC(=O)c2cc3c(CNC4CCC4)ccc(OC)c3o2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.46
MAPT P10636 3/20 0.46
PDE4A P27815 2/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
ADRA2A P08913 3/20 0.43
ADRA2B P18089 3/20 0.43
ADRA2C P18825 3/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
TSHR P16473 2/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 1/20 0.41
PKM P14618 1/20 0.41
EPHX1 P07099 1/20 0.41

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
SCHEMBL6837739 0.97 MEN1 (0.46) TP53MAPTPDE4APDE4BPDE4C
SCHEMBL6836474 0.92 ADRA2A (0.43) TP53MAPTPDE4APDE4BPDE4C
SCHEMBL6837529 0.91 PDE4A (0.48) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL6837771 0.90 MAPT (0.44) TP53MAPTPDE4APDE4BPDE4C
SCHEMBL6837598 0.90 PDE4A (0.50) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL6837588 0.89 LMNA (0.43) TP53MAPTPDE4APDE4BPDE4C
SCHEMBL6836480 0.89 PDE4A (0.49) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL6837518 0.89 PDE4A (0.49) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL6839492 0.88 TSHR (0.46) TP53MAPTPDE4APDE4BPDE4C
SCHEMBL6837709 0.87 DHODH (0.44) TP53MAPTPDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6716987-B1 PHOSPHODIESTERASE IV INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-04-06 US disclosed
US-6514996-B2 Derivatives of benzofuran or benzodioxole KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-02-04 US disclosed
US-20020128290-A1 DERIVATIVES OF BENZOFURAN OR BENZODIOXOLE KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-09-12 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-20020128290-A1 DERIVATIVES OF BENZOFURAN OR BENZODIOXOLE CBR1, CBR3, CYC1 TP53 2008/4885MAPT 3600/4885PDE4A 4879/4885

“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.