SCHEMBL6833344

SCHEMBL6833344

COc1ccc(CNC2CCCC(C)C2C)c2cc(C(=O)N[C@@H](C)c3ccccc3)oc12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
ADRA2A P08913 2/20 0.39
ADRA2B P18089 2/20 0.39
ADRA2C P18825 2/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.38
TACR1 P25103 1/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.37
RCE1 Q9Y256 1/20 0.37
PDE10A Q9Y233 1/20 0.37
BACE1 P56817 1/20 0.36

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
SCHEMBL6836810 0.89 ALDH1A1 (0.42) ALDH1A1GAAPKMADRA2AADRA2B
SCHEMBL6836807 0.89 ALDH1A1 (0.42) ALDH1A1GAAPKMADRA2AADRA2B
SCHEMBL6839069 0.87 ALDH1A1 (0.42) ALDH1A1GAAPKMADRA2AADRA2B
SCHEMBL6839067 0.87 ALDH1A1 (0.42) ALDH1A1GAAPKMADRA2AADRA2B
SCHEMBL6839196 0.86 EPHX1 (0.43) ALDH1A1GAAPKMADRA2AADRA2B
SCHEMBL6839198 0.86 EPHX1 (0.43) ALDH1A1GAAPKMADRA2AADRA2B
SCHEMBL6837595 0.86 EPHX1 (0.43) ALDH1A1GAAPKMADRA2AADRA2B
SCHEMBL6837597 0.86 EPHX1 (0.43) ALDH1A1GAAPKMADRA2AADRA2B
SCHEMBL6837867 0.86 ADRA2A (0.43) ADRA2AADRA2BADRA2CLMNANPSR1
SCHEMBL6836436 0.86 HTT (0.45) ADRA2AADRA2BADRA2CLMNAHPGD

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 ALDH1A1 323/4885GAA 2909/4885PKM 4319/4885

“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.