SCHEMBL1534484

SCHEMBL1534484

O=c1c(I)c(-c2ccccc2)oc2cc(OC(F)(F)F)ccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
MAPT P10636 6/20 0.52
CYP3A4 P08684 5/20 0.52
KDM4E B2RXH2 5/20 0.52
HSD17B10 Q99714 4/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
HPGD P15428 3/20 0.52
THRB P10828 1/20 0.52
PTPN22 Q9Y2R2 4/20 0.44
PTPRC P08575 3/20 0.44
PTPN2 P17706 3/20 0.44
PTPN1 P18031 3/20 0.44
PTPN6 P29350 3/20 0.44
PTPN9 P43378 3/20 0.44
DUSP3 P51452 3/20 0.44
PTPN11 Q06124 3/20 0.44
EPM2A O95278 1/20 0.44
PTPRG P23470 1/20 0.44
ACP1 P24666 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
SCHEMBL1534645 0.90 KDM4E (0.52) ALDH1A1MAPTCYP3A4KDM4EHSD17B10
SCHEMBL1534565 0.83 ALDH1A1 (0.74) ALDH1A1MAPTCYP3A4KDM4EHSD17B10
SCHEMBL1534630 0.79 MAOB (0.55) ALDH1A1MAPTCYP3A4KDM4EHSD17B10
SCHEMBL1534705 0.76 BCHE (0.51) ALDH1A1MAPTCYP3A4KDM4EHSD17B10
SCHEMBL1423181 0.75 KMT2A (0.65) ALDH1A1MAPTCYP3A4KDM4EHSD17B10
SCHEMBL12273995 0.74 CA1 (0.43) ALDH1A1MAPTCYP3A4KDM4EHSD17B10
SCHEMBL1534478 0.74 ACHE (0.49) ALDH1A1MAPTCYP3A4KDM4EHSD17B10
SCHEMBL1534543 0.73 ALDH1A1 (0.74) ALDH1A1MAPTCYP3A4KDM4EHSD17B10
SCHEMBL22247537 0.72 MAOB (0.44) ALDH1A1MAPTCYP3A4KDM4EHSD17B10
SCHEMBL1534460 0.71 MEN1 (0.58) ALDH1A1MAPTCYP3A4KDM4EHSD17B10

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 4088/4885MAPT 640/4885CYP3A4 2648/4885

“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.