SCHEMBL6000839

SCHEMBL6000839

COc1ccc(C(=O)c2cc3cc4ccccc4cc3s2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
TSHR P16473 1/20 0.54
CYP2C19 P33261 1/20 0.54
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
PIN1 Q13526 1/20 0.49
NPC1 O15118 1/20 0.48
NQO2 P16083 1/20 0.48
CASP3 P42574 1/20 0.48
RAB9A P51151 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
DYRK1A Q13627 3/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NAMPT P43490 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL6001663 0.85 CNR2 (0.51) ALDH1A1NPC1RAB9ADYRK1AKMT2A
SCHEMBL5088041 0.81 STING1 (0.50) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL6001679 0.78 DYRK1A (0.67) ALDH1A1DYRK1AKMT2AKDM4EL3MBTL1
SCHEMBL5026269 0.77 TUBB4A (0.52) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL5074187 0.77 CYP1A2 (0.73) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL8499452 0.77 CYP1A2 (0.73) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL23041058 0.75 PDGFRB (0.62) ALDH1A1NPC1RAB9ADYRK1AKDM4E
SCHEMBL30298052 0.74 TUBB4A (0.58) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL9431835 0.74 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AKDM4EL3MBTL1
SCHEMBL6001641 0.73 POLB (0.50) ALDH1A1GAANPC1RAB9ADYRK1A

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-20060142271-A1 Novel lapacho compounds and methods of use thereof MUNSTER, UNIVERSITY OF (DE) 2006-06-29 US disclosed
EP-1551392-A2 NOVEL LAPACHO COMPOUNDS AND METHODS OF USE THEREOF ARQULE, INC. (US) 2005-07-13 EP disclosed
WO-2004026253-A2 NOVEL LAPACHO COMPOUNDS AND METHODS OF USE THEREOF ARQULE, INC. (US) 2004-04-01 WO 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-20060142271-A1 Novel lapacho compounds and methods of use thereof XIAP, PIN1, NQO1 CYP1A2 1670/4885CYP3A4 2243/4885CYP2C9 3702/4885

“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.