SCHEMBL4086772

SCHEMBL4086772

COC(=O)Cc1cccc(OCCCNCC(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.52
ALDH1A1 P00352 3/20 0.52
GAA P10253 2/20 0.52
LMNA P02545 1/20 0.52
RAB9A P51151 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
NR1H3 Q13133 4/20 0.49
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47
MAOB P27338 1/20 0.45
ALOX15 P16050 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LTA4H P09960 1/20 0.45
SLC7A5 Q01650 1/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
CHRM2 P08172 1/20 0.44

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
SCHEMBL3980729 0.91 KDM4E (0.48) KDM4EALDH1A1GAALMNARAB9A
SCHEMBL4951146 0.91 BCHE (0.54) KDM4EALDH1A1GAALMNARAB9A
SCHEMBL4951131 0.91 BCHE (0.54) KDM4EALDH1A1GAALMNARAB9A
SCHEMBL4300080 0.91 KDM4E (0.47) KDM4EALDH1A1GAALMNARAB9A
SCHEMBL3985981 0.90 KDM4E (0.45) KDM4EALDH1A1GAALMNARAB9A
SCHEMBL4086901 0.90 ALOX15 (0.56) KDM4EALDH1A1GAALMNARAB9A
SCHEMBL3978205 0.83 SLC7A5 (0.44) NR1H3MEN1KMT2ASLC7A5
SCHEMBL3978329 0.83 BCHE (0.44) KDM4ETDP1NR1H3MEN1KMT2A
SCHEMBL3978325 0.83 BCHE (0.44) KDM4ETDP1NR1H3MEN1KMT2A
SCHEMBL3978202 0.83 SLC7A5 (0.44) NR1H3MEN1KMT2ASLC7A5

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-8993628-B2 Synthetic ligands selective for LXRβ over LXRα, identification and methods of use thereof CITY OF HOPE (US) 2015-03-31 US disclosed
US-20090030082-A1 SYNTHETIC LIGANDS SELECTIVE FOR LXRbeta OVER LXRalpha, IDENTIFICATION AND METHODS OF USE THEREOF CITY OF HOPE 2009-01-29 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-20090030082-A1 SYNTHETIC LIGANDS SELECTIVE FOR LXRbeta OVER LXRalpha, IDENTIFICATION AND METHODS OF USE THEREOF NR1H2, NR1H3, NR1H4 KDM4E 4708/4885ALDH1A1 3749/4885GAA 481/4885

“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.