SCHEMBL4086901

SCHEMBL4086901

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.56
NR1H3 Q13133 4/20 0.54
KDM4E B2RXH2 5/20 0.52
LMNA P02545 1/20 0.52
RAB9A P51151 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ALDH1A1 P00352 3/20 0.49
GAA P10253 2/20 0.49
PLA2G4B P0C869 1/20 0.49
NR1H2 P55055 2/20 0.48
MEN1 O00255 1/20 0.48
NR1I2 O75469 1/20 0.48
MAPT P10636 1/20 0.48
RXRA P19793 1/20 0.48
VHL P40337 1/20 0.48
RECQL P46063 1/20 0.48
BLM P54132 1/20 0.48
KMT2A Q03164 1/20 0.48
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL4086772 0.90 KDM4E (0.52) ALOX15NR1H3KDM4ELMNARAB9A
SCHEMBL3980729 0.81 KDM4E (0.48) NR1H3KDM4ELMNARAB9ATDP1
SCHEMBL3979283 0.81 NR1H3 (0.52) NR1H3KDM4ETDP1PLA2G4BNR1H2
SCHEMBL3984311 0.81 NR1H3 (0.49) ALOX15NR1H3NR1H2MEN1KMT2A
SCHEMBL3984308 0.81 NR1H3 (0.49) ALOX15NR1H3NR1H2MEN1KMT2A
SCHEMBL3979279 0.81 NR1H3 (0.52) NR1H3KDM4ETDP1PLA2G4BNR1H2
SCHEMBL4951131 0.81 BCHE (0.54) ALOX15NR1H3KDM4ELMNARAB9A
SCHEMBL4951146 0.81 BCHE (0.54) ALOX15NR1H3KDM4ELMNARAB9A
SCHEMBL4300080 0.80 KDM4E (0.47) NR1H3KDM4ELMNARAB9ATDP1
SCHEMBL3985981 0.80 KDM4E (0.45) ALOX15NR1H3KDM4ELMNARAB9A

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 ALOX15 1862/4885NR1H3 2/4885KDM4E 4708/4885

“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.