SCHEMBL16756015

SCHEMBL16756015

CCCOc1ccc2[nH]c(C)cc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.62
PPARD Q03181 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CYP2A6 P11509 1/20 0.47
KEAP1 Q14145 1/20 0.47
HTR1A P08908 1/20 0.43
HTR1B P28222 1/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 2/20 0.43
PDGFRB P09619 2/20 0.43
PDGFRA P16234 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.42

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
SCHEMBL12327788 0.93 AXL (0.62) AXLPPARDNPC1RAB9ARXFP1
SCHEMBL11612222 0.87 CA12 (0.45) AXLPPARDNPC1RAB9ARXFP1
SCHEMBL8292832 0.86 AXL (0.66) AXLPPARDNPC1RAB9AMEN1
SCHEMBL13344896 0.85 AXL (0.60) AXLPPARDMEN1KMT2AKDM4E
SCHEMBL22300369 0.85 AXL (0.65) AXLPPARDNPC1RAB9AMEN1
SCHEMBL13344928 0.83 PDGFRB (0.60) AXLPPARDKDM4EALDH1A1CYP2A6
SCHEMBL5735637 0.83 AXL (0.57) AXLPPARDNPC1RAB9AMEN1
SCHEMBL866096 0.82 LOXL2 (0.50) AXLNPC1RAB9ARXFP1MEN1
SCHEMBL28268326 0.81 AXL (0.55) AXLPPARDNPC1RAB9AMEN1
SCHEMBL14218665 0.81 AXL (0.64) AXLPPARDNPC1RAB9AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9061994-B1 Materials and methods useful to induce vacuolization, cell death, or a combination thereof THE UNIVERSITY OF TOLEDO (US) 2015-06-23 US disclosed
US-20150152049-A1 Materials And Methods Useful To Induce Vacuolization, Cell Death, Or A Combination Thereof THE UNIVERSITY OF TOLEDO (US) 2015-06-04 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-20150152049-A1 Materials And Methods Useful To Induce Vacuolization, Cell Death, Or A Combination Thereof BECN1, BAD, BAX AXL 3741/4885PPARD 3388/4885NPC1 1360/4885

“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.