SCHEMBL1534543

SCHEMBL1534543

COc1ccc2oc(-c3ccccc3)c(I)c(=O)c2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.74
KDM4E B2RXH2 9/20 0.74
HPGD P15428 8/20 0.74
MAPT P10636 6/20 0.74
HSD17B10 Q99714 5/20 0.74
CYP3A4 P08684 4/20 0.74
TSHR P16473 3/20 0.74
CYP2D6 P10635 2/20 0.74
CYP2C9 P11712 2/20 0.74
CYP2C19 P33261 2/20 0.74
TDP1 Q9NUW8 2/20 0.74
LMNA P02545 2/20 0.60
MAOA P21397 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
NPC1 O15118 1/20 0.59
CASP3 P42574 1/20 0.59
RAB9A P51151 1/20 0.59
SENP8 Q96LD8 1/20 0.59
SENP7 Q9BQF6 1/20 0.59
SENP6 Q9GZR1 1/20 0.59

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
SCHEMBL1534565 0.89 ALDH1A1 (0.74) ALDH1A1KDM4EHPGDMAPTHSD17B10
3,6-Dimethoxyflavone SCHEMBL4649913 0.85 KDM4E (1.00) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL2121813 0.84 KDM4E (0.74) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL30894679 0.84 ALDH1A1 (0.74) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL15676583 0.84 KDM4E (0.74) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL1534645 0.83 KDM4E (0.52) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL1534460 0.82 MEN1 (0.58) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL30876960 0.82 MAPT (0.70) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL29115313 0.80 KDM4E (0.68) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL1534593 0.79 MEN1 (0.48) ALDH1A1KDM4EHPGDMAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546376-B2 Pharmaceutical compounds ALMAC DISCOVERY LIMITED (GB) 2013-10-01 US disclosed
US-20120238541-A1 PHARMACEUTICAL COMPOUNDS ALMAC DISCOVERY LIMITED (GB) 2012-09-20 US disclosed
EP-2473495-A1 PHARMACEUTICAL COMPOUNDS Almac Discovery Limited (GB) 2012-07-11 EP disclosed
WO-2011033265-A1 PHARMACEUTICAL COMPOUNDS ALMAC DISCOVERY LIMITED (GB) 2011-03-24 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-20120238541-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, PLK1, MTOR ALDH1A1 4088/4885KDM4E 1952/4885HPGD 1880/4885

“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.