SCHEMBL6001322

SCHEMBL6001322

O=CCc1cc2cc3ccccc3cc2o1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.42
AGXT P21549 1/20 0.39
CYP2A6 P11509 1/20 0.38
HTR1A P08908 2/20 0.33
HTR2B P41595 2/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
DRD2 P14416 2/20 0.33
PSMB8 P28062 1/20 0.33
PSMB5 P28074 1/20 0.33
CYP19A1 P11511 1/20 0.33
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
PIN1 Q13526 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
ADRA2A P08913 1/20 0.31

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
SCHEMBL112634 0.85 LOXL2 (0.58) LOXL2AGXTCYP2A6HTR1AHTR2B
SCHEMBL11706351 0.79 LOXL2 (0.46) LOXL2AGXTHTR1AHTR2BESR1
SCHEMBL28087518 0.76 LOXL2 (0.46) LOXL2AGXTCYP2A6HTR1AHTR2B
SCHEMBL16795532 0.74 ALDH1A1 (0.43) LOXL2CYP2A6DRD2PSMB8MAOB
SCHEMBL16795658 0.74 CA12 (0.43) LOXL2DRD2PSMB8CYP19A1MAOB
SCHEMBL16795618 0.74 ALDH1A1 (0.47) MAOAMAOB
SCHEMBL3721464 0.74 CYP2A6 (0.57) CYP2A6CYP19A1F2F10SMN1; SMN2
SCHEMBL16795611 0.74 CYP2A6 (0.41) LOXL2CYP2A6CYP19A1MAOAMAOB
SCHEMBL5606186 0.74 FLT3 (0.50) LOXL2AGXTCYP2A6DRD2F2
SCHEMBL16795657 0.74 CA12 (0.43) LOXL2CYP2A6HTR1AHTR2BF2

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 LOXL2 195/4885AGXT 2199/4885CYP2A6 1478/4885

“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.