SCHEMBL6836705

SCHEMBL6836705

CCNCc1ccc(OC)c2oc(C(=O)N3CCCCC3)cc12

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 4/20 0.54
ADRA2B P18089 4/20 0.54
ADRA2C P18825 4/20 0.54
HPGD P15428 5/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NPC1 O15118 7/20 0.41
RAB9A P51151 7/20 0.41
DPP7 Q9UHL4 1/20 0.41
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL6837790 0.99 ADRA2A (0.54) ADRA2AADRA2BADRA2CHPGDL3MBTL1
SCHEMBL6837903 0.92 ADRA2A (0.52) ADRA2AADRA2BADRA2CHPGDL3MBTL1
SCHEMBL6837770 0.91 ADRA2A (0.49) ADRA2AADRA2BADRA2CHPGDNPC1
SCHEMBL6837951 0.91 ADRA2A (0.53) ADRA2AADRA2BADRA2CHPGDL3MBTL1
SCHEMBL6836498 0.90 ADRA2A (0.51) ADRA2AADRA2BADRA2CHPGDL3MBTL1
SCHEMBL6833377 0.89 ADRA2A (0.55) ADRA2AADRA2BADRA2CHPGDL3MBTL1
SCHEMBL6837758 0.89 ADRA2A (0.51) ADRA2AADRA2BADRA2CHPGDL3MBTL1
SCHEMBL6839329 0.89 ADRA2A (0.51) ADRA2AADRA2BADRA2CHPGDL3MBTL1
SCHEMBL6833406 0.88 ADRA2A (0.56) ADRA2AADRA2BADRA2CHPGDL3MBTL1
SCHEMBL6837932 0.88 ADRA2A (0.52) ADRA2AADRA2BADRA2CHPGDNPC1

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 ADRA2A 1965/4885ADRA2B 1631/4885ADRA2C 1669/4885

“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.