SCHEMBL17831773

SCHEMBL17831773

FC(F)(F)c1ccc(-c2cccc(-c3nc(-c4cc(-n5c6ccccc6c6ccc(-n7c8ccccc8c8ccccc87)cc65)cc(-n5c6ccccc6c6ccc(-n7c8ccccc8c8ccccc87)cc65)c4)nc4ccc5ccccc5c34)c2)cc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 4/20 0.32
MAPK14 Q16539 1/20 0.32
DHODH Q02127 1/20 0.32
PIK3CA P42336 1/20 0.32
NPC1 O15118 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
NPY1R P25929 1/20 0.31
HTT P42858 1/20 0.31
NPY2R P49146 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
DPP4 P27487 1/20 0.31
KIF11 P52732 1/20 0.30
LIPG Q9Y5X9 1/20 0.30
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL17831798 0.95 ABCG2 (0.32) ABCG2MAPK14DHODHPIK3CANPC1
SCHEMBL17831789 0.92 PTGES (0.34) ABCG2DHODHPIK3CAALDH1A1LMNA
SCHEMBL17831801 0.91 PTGES (0.35) ABCG2DHODHPIK3CAALDH1A1LMNA
SCHEMBL17831797 0.89 MGAM (0.35) ABCG2DHODHPIK3CAALDH1A1LMNA
SCHEMBL17829183 0.89 FLT3 (0.32) DHODHNPC1ALDH1A1LMNAMAPT
SCHEMBL17831783 0.87 ABCG2 (0.35) ABCG2MAPK14DHODHALDH1A1LMNA
SCHEMBL17829150 0.84 PTGES (0.33) ABCG2ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL17829161 0.84 ABCG2 (0.33) ABCG2DHODHPIK3CANPC1ALDH1A1
SCHEMBL17829185 0.83 PTGES (0.35) DHODHNPC1ALDH1A1LMNAMAPT
SCHEMBL17831799 0.83 KIF11 (0.32) LMNAKIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9508939-B2 Compound and organic electroluminescent element produced using same IDEMITSU KOSAN CO., LTD. (JP) 2016-11-29 US disclosed
US-20160172604-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT PRODUCED USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2016-06-16 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-20160172604-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT PRODUCED USING SAME L1CAM, LEF1, EML4 ABCG2 4502/4885MAPK14 2613/4885DHODH 4339/4885

“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.