SCHEMBL6001333

SCHEMBL6001333

OCCc1cc2cc3ccccc3cc2o1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.43
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40
AGXT P21549 1/20 0.40
CYP2A6 P11509 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
HTR2B P41595 2/20 0.34
HTR1A P08908 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HNF4A P41235 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
NPC1 O15118 1/20 0.34
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL2249038 0.85 LOXL2 (0.60) LOXL2F2F10AGXTTDP1
SCHEMBL28087518 0.77 LOXL2 (0.46) LOXL2AGXTCYP2A6HTR2BHTR1A
SCHEMBL11706351 0.77 LOXL2 (0.46) LOXL2F2F10AGXTHTR2B
SCHEMBL5392401 0.76 FFAR1 (0.49) F2F10NPC1FFAR1FFAR4
SCHEMBL22971168 0.74 LOXL2 (0.56) LOXL2AGXTTDP1HTR2BHTR1A
SCHEMBL2785499 0.74 FLT3 (0.49) TDP1ESR2NPC1MAPT
SCHEMBL10411287 0.74 ESR1 (0.43) LOXL2F2F10AGXTTDP1
SCHEMBL4432584 0.73 LOXL2 (0.55) LOXL2AGXTTDP1HTR2BHTR1A
SCHEMBL6001322 0.73 LOXL2 (0.42) LOXL2F2F10AGXTCYP2A6
SCHEMBL31248488 0.73 HDAC6 (0.44) LOXL2F2F10CYP2A6HDAC6

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 195/4885F2 3969/4885F10 4296/4885

“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.