SCHEMBL5364833

SCHEMBL5364833

Nc1cccc2oc(CO)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
KDM4E B2RXH2 4/20 0.41
MAPT P10636 4/20 0.41
NQO1 P15559 1/20 0.39
HPGD P15428 4/20 0.38
CYP3A4 P08684 2/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
PARP1 P09874 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
KEAP1 Q14145 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 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
SCHEMBL32679918 0.79 MAOA (0.41) KDM4EMAPTHPGDCYP3A4TSHR
SCHEMBL8444344 0.78 EYA3 (0.39) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL8441084 0.78 HDAC6 (0.38) ALDH1A1KDM4EMAPTHPGDCYP3A4
SCHEMBL16693135 0.78 IDO1 (0.37) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL10968082 0.75 KDM4E (0.33) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL11195375 0.75 ALDH1A1 (0.45) ALDH1A1KDM4EMAPTNQO1HPGD
SCHEMBL3311488 0.74 NR4A1 (0.42) ALDH1A1KDM4EHPGDTSHRTDP1
SCHEMBL29779894 0.74 KMT2A (0.38) ALDH1A1KDM4EMAPTTDP1KMT2A
SCHEMBL12778677 0.72 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTNQO1HPGD
SCHEMBL10968084 0.71 LMNA (0.43) ALDH1A1KDM4EMAPTTSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070099991-A1 SELECTIVE RXR LIGANDS HAFFNER CURT D 2007-05-03 US disclosed
US-20070099991-A1 SELECTIVE RXR LIGANDS HAFFNER CURT D 2007-05-03 US disclosed
US-20070099991-A1 SELECTIVE RXR LIGANDS HAFFNER CURT D 2007-05-03 US disclosed
US-7173134-B2 Selective RXR ligands SMITHKLINE BEECHAM CORPORATION (US) 2007-02-06 US disclosed
US-7173134-B2 Selective RXR ligands SMITHKLINE BEECHAM CORPORATION (US) 2007-02-06 US disclosed
US-7173134-B2 Selective RXR ligands SMITHKLINE BEECHAM CORPORATION (US) 2007-02-06 US disclosed
US-20040198980-A1 Selective rxr ligands SMITHKLINE BEECHAM CORPORATION 2004-10-07 US disclosed
EP-1430042-A2 BICYCLIC HETEROCYCLES AS RXR LIGANDS SmithKline Beecham Corporation (US) 2004-06-23 EP disclosed
WO-2003027090-A2 BICYCLIC HETEROCYCLES AS RXR LIGANDS SMITHKLINE BEECHAM CORPORATION (US) 2003-04-03 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 (2 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-20040198980-A1 Selective rxr ligands RXRA, RXRB, RXRG ALDH1A1 2289/4885KDM4E 2910/4885MAPT 4710/4885
US-20070099991-A1 SELECTIVE RXR LIGANDS RXRB, RXRA, RXRG ALDH1A1 1916/4885KDM4E 2862/4885MAPT 4680/4885

“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.