SCHEMBL6836671

SCHEMBL6836671

COc1ccc(CNC2CCCCCCC2)c2cc(C(=O)NCCCc3ccccc3)oc12

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
PKM P14618 1/20 0.47
EPHX1 P07099 2/20 0.45
ADRA2A P08913 2/20 0.44
ADRA2B P18089 2/20 0.44
ADRA2C P18825 2/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
EPHX2 P34913 2/20 0.42
ACHE P22303 4/20 0.42
BCHE P06276 3/20 0.42
TAAR1 Q96RJ0 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
SCHEMBL6833285 0.97 ADRA2A (0.45) KMT2AMEN1PKMEPHX1ADRA2A
SCHEMBL6837488 0.95 MEN1 (0.52) KMT2AMEN1PKMEPHX1ADRA2A
SCHEMBL6837837 0.95 MEN1 (0.52) KMT2AMEN1PKMEPHX1ADRA2A
SCHEMBL6839357 0.94 MEN1 (0.51) KMT2AMEN1PKMEPHX1ADRA2A
SCHEMBL6836429 0.92 NPC1 (0.49) KMT2AMEN1PKMADRA2AADRA2B
SCHEMBL6837945 0.90 MEN1 (0.47) KMT2AMEN1PKMADRA2AADRA2B
SCHEMBL6839429 0.90 MEN1 (0.47) KMT2AMEN1PKMADRA2AADRA2B
SCHEMBL6837767 0.89 HTT (0.48) KMT2AMEN1ADRA2AADRA2BADRA2C
SCHEMBL6837873 0.87 HTT (0.48) KMT2AMEN1ADRA2AADRA2BADRA2C
SCHEMBL6948251 0.87 EPHX1 (0.46) KMT2AMEN1EPHX1ADRA2AADRA2B

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 KMT2A 4289/4885MEN1 4379/4885PKM 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.