SCHEMBL17429281

SCHEMBL17429281

FC(F)(F)c1cc(-c2cccc(-c3cccc(-c4cccc(-c5cc(C(F)(F)F)nn5C5CCCCO5)n4)c3)n2)n(C2CCCCO2)n1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATR Q13535 5/20 0.36
NR3C2 P08235 1/20 0.36
KDM4E B2RXH2 2/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP4F2 P78329 4/20 0.35
CYP4A11 Q02928 4/20 0.35
PTGS1 P23219 1/20 0.34
RET P07949 2/20 0.33
IRAK4 Q9NWZ3 2/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 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
SCHEMBL17426548 0.94 ATR (0.35) ATRNR3C2KDM4ETP53HPGD
SCHEMBL17426564 0.87 GABRA1 (0.42) ATRNR3C2KDM4ETP53HPGD
SCHEMBL18503120 0.83 RET (0.39) ATRCYP4F2CYP4A11RETRXRA
SCHEMBL20027661 0.82 CNR2 (0.31) NR3C2
SCHEMBL19879315 0.78 PTGS2 (0.43) ATRNR3C2KDM4EHPGDTSHR
SCHEMBL18525223 0.77 RET (0.36) ATRCYP4F2CYP4A11RET
SCHEMBL19879311 0.76 ATR (0.37) ATRNR3C2CYP4F2CYP4A11PTGS1
SCHEMBL28900940 0.75 RET (0.40) ATRNR3C2CYP4F2CYP4A11PTGS1
SCHEMBL9977809 0.75 CYP4F2 (0.47) ATRCYP4F2CYP4A11
SCHEMBL17429370 0.73 ATR (0.30) ATR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160013431-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-01-14 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-20160013431-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME LEF1, CRY1, CYP1A1 ATR 2935/4885NR3C2 1799/4885KDM4E 1605/4885

“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.