SCHEMBL6001029

SCHEMBL6001029

COc1ccc(C(=O)c2cc3cc4ccccc4cc3o2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
RAB9A P51151 7/20 0.53
NPC1 O15118 7/20 0.53
ALDH1A1 P00352 5/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
MAPT P10636 3/20 0.53
HTT P42858 1/20 0.53
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
GAA P10253 1/20 0.51
HPGD P15428 3/20 0.51
CASP3 P42574 2/20 0.51
SENP7 Q9BQF6 2/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
NAMPT P43490 1/20 0.50

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
SCHEMBL28327740 0.79 NPC1 (0.78) TSHRRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL6001144 0.78 NPC1 (0.75) TSHRRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL5074187 0.77 CYP1A2 (0.73) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL8499452 0.77 CYP1A2 (0.73) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3204959 0.77 ALDH1A1 (0.60) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL15203835 0.76 NPC1 (0.61) TSHRCYP1A2CYP3A4CYP2C9RAB9A
SCHEMBL8761540 0.75 MAPT (0.72) TSHRCYP2C19RAB9ANPC1ALDH1A1
SCHEMBL6001320 0.75 ALDH1A1 (0.59) TSHRCYP1A2CYP3A4RAB9ANPC1
SCHEMBL5509198 0.74 TSHR (0.65) TSHRRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL10412127 0.73 FLT3 (0.53) TSHRRAB9ANPC1ALDH1A1SMN1; SMN2

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 TSHR 4796/4885CYP1A2 1670/4885CYP3A4 2243/4885

“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.