SCHEMBL6837709

SCHEMBL6837709

COc1ccc(CNC2CCCCCCC2)c2cc(C(=O)Nc3ccc(C(C)(C)C)cc3)oc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.44
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
EPHX1 P07099 1/20 0.43
EPHX2 P34913 1/20 0.43
NR1H4 Q96RI1 2/20 0.42
ADRA2A P08913 2/20 0.42
ADRA2B P18089 2/20 0.42
ADRA2C P18825 2/20 0.42
HPGD P15428 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
HTT P42858 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
SCHEMBL6837771 0.97 MAPT (0.44) DHODHMAPTSMN1; SMN2TP53EPHX1
SCHEMBL6837739 0.90 MEN1 (0.46) MAPTSMN1; SMN2TP53EPHX1EPHX2
SCHEMBL6837588 0.89 LMNA (0.43) MAPTSMN1; SMN2TP53EPHX1ADRA2A
SCHEMBL6836480 0.89 PDE4A (0.49) MAPTADRA2AADRA2BADRA2CMEN1
SCHEMBL6837518 0.89 PDE4A (0.49) MAPTADRA2AADRA2BADRA2CMEN1
SCHEMBL6837598 0.88 PDE4A (0.50) MAPTADRA2AADRA2BADRA2CMEN1
SCHEMBL6836658 0.87 TP53 (0.46) MAPTSMN1; SMN2TP53EPHX1EPHX2
SCHEMBL6836474 0.86 ADRA2A (0.43) MAPTSMN1; SMN2TP53ADRA2AADRA2B
SCHEMBL6837928 0.86 ADRA2A (0.41) DHODHMAPTSMN1; SMN2TP53NR1H4
SCHEMBL6837529 0.86 PDE4A (0.48) MAPTSMN1; SMN2ADRA2AADRA2BADRA2C

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 DHODH 552/4885MAPT 3600/4885SMN1; SMN2 1477/4885

“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.