SCHEMBL6833377

SCHEMBL6833377

CNCc1ccc(OC)c2oc(C(=O)N3CCCCC3)cc12

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 4/20 0.55
ADRA2B P18089 4/20 0.55
ADRA2C P18825 4/20 0.55
NPC1 O15118 7/20 0.43
RAB9A P51151 7/20 0.43
HPGD P15428 5/20 0.43
ALDH1A1 P00352 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL6833406 0.99 ADRA2A (0.56) ADRA2AADRA2BADRA2CNPC1RAB9A
SCHEMBL6837596 0.91 ADRA2A (0.51) ADRA2AADRA2BADRA2CNPC1RAB9A
SCHEMBL6836705 0.89 ADRA2A (0.54) ADRA2AADRA2BADRA2CNPC1RAB9A
SCHEMBL6836415 0.89 ADRA2A (0.54) ADRA2AADRA2BADRA2CNPC1RAB9A
SCHEMBL6837955 0.88 ADRA2A (0.54) ADRA2AADRA2BADRA2CNPC1RAB9A
SCHEMBL6837790 0.88 ADRA2A (0.54) ADRA2AADRA2BADRA2CNPC1RAB9A
SCHEMBL6836451 0.88 ADRA2A (0.63) ADRA2AADRA2BADRA2CNPC1RAB9A
SCHEMBL6838163 0.88 ADRA2A (0.63) ADRA2AADRA2BADRA2CNPC1RAB9A
SCHEMBL6837903 0.88 ADRA2A (0.52) ADRA2AADRA2BADRA2CNPC1RAB9A
SCHEMBL7144049 0.87 ADRA2A (0.56) ADRA2AADRA2BADRA2CNPC1RAB9A

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.