SCHEMBL4023074

SCHEMBL4023074

CCSC(=O)c1cc(F)ccc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.42
HSD17B10 Q99714 5/20 0.42
HTT P42858 4/20 0.42
MAPT P10636 4/20 0.42
LMNA P02545 3/20 0.42
MAOB P27338 2/20 0.42
TP53 P04637 2/20 0.42
ALOX15 P16050 2/20 0.42
MAPK1 P28482 1/20 0.42
AR P10275 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KEAP1 Q14145 1/20 0.41
HPGD P15428 3/20 0.40
P2RX1 P51575 2/20 0.40
TMPRSS4 Q9NRS4 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HIF1A Q16665 2/20 0.40

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
SCHEMBL21018529 0.82 CA12 (0.54) HTTCA1CA2
SCHEMBL10512108 0.80 MAOB (0.45) KDM4EHSD17B10HTTLMNAMAOB
SCHEMBL29784555 0.80 MAOB (0.45) KDM4EHSD17B10HTTLMNAMAOB
SCHEMBL11314160 0.77 HSP90AB1 (0.52) KDM4EHSD17B10HTTMAPTLMNA
SCHEMBL2964435 0.74 KDM4E (0.48) KDM4EHSD17B10HTTMAPTLMNA
SCHEMBL25742812 0.74 HSD17B10 (0.59) KDM4EHSD17B10HTTMAPTLMNA
SCHEMBL31231917 0.74 P2RX1 (0.50) KDM4EHSD17B10HTTLMNAMAOB
SCHEMBL467241 0.74 P2RX1 (0.50) KDM4EHSD17B10HTTLMNAMAOB
SCHEMBL1307730 0.73 KDM4E (0.47) KDM4EHSD17B10HTTMAPTLMNA
SCHEMBL3895996 0.72 CA12 (0.70) KDM4EHSD17B10MAPTLMNAMAPK1

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
EP-2061755-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-05-27 EP disclosed
US-20090069408-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-03-12 US disclosed
WO-2008109840-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-12 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-20090069408-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS TFRC, SLC40A1, FECH KDM4E 2915/4885HSD17B10 1197/4885HTT 583/4885

“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.