SCHEMBL6838019

SCHEMBL6838019

CCCNCc1ccc(OC)c2oc(C(=O)NC(C)c3ccccc3)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
LMNA P02545 1/20 0.44
THRB P10828 1/20 0.44
HPGD P15428 2/20 0.44
NPSR1 Q6W5P4 2/20 0.43
HSD17B10 Q99714 2/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 1/20 0.43
PDE10A Q9Y233 1/20 0.43
C5 P01031 1/20 0.42
MEN1 O00255 2/20 0.42
RCE1 Q9Y256 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL6838021 1.00 ALDH1A1 (0.44) ALDH1A1GAAPKMLMNATHRB
SCHEMBL6839454 0.94 C5 (0.45) ALDH1A1GAAPKMLMNATHRB
SCHEMBL6839458 0.94 C5 (0.45) ALDH1A1GAAPKMLMNATHRB
SCHEMBL6837573 0.92 ALDH1A1 (0.46) ALDH1A1GAAPKMLMNATHRB
SCHEMBL6837574 0.92 ALDH1A1 (0.46) ALDH1A1GAAPKMLMNATHRB
SCHEMBL6833320 0.92 KMT2A (0.45) ALDH1A1GAAPKMLMNATHRB
SCHEMBL6833318 0.92 KMT2A (0.45) ALDH1A1GAAPKMLMNATHRB
SCHEMBL6837748 0.90 ALDH1A1 (0.46) ALDH1A1GAAPKMLMNATHRB
SCHEMBL6837747 0.90 ALDH1A1 (0.46) ALDH1A1GAAPKMLMNATHRB
SCHEMBL6836453 0.90 EPHX2 (0.45) ALDH1A1GAAPKMLMNATHRB

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.