SCHEMBL17829183

SCHEMBL17829183

Cc1ccc(-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
FLT3 P36888 1/20 0.32
MAOA P21397 1/20 0.32
ALDH1A1 P00352 3/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
LMNA P02545 3/20 0.32
HTT P42858 3/20 0.32
HPGD P15428 2/20 0.32
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.32
NPY1R P25929 1/20 0.32
NPY2R P49146 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
XBP1 P17861 1/20 0.32
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PTGES O14684 1/20 0.32
TP53 P04637 1/20 0.31
AKR1C4 P17516 1/20 0.31
AKR1C3 P42330 1/20 0.31

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
SCHEMBL17829185 0.94 PTGES (0.35) FLT3MAOAALDH1A1NPC1RAB9A
SCHEMBL17829178 0.91 PTGES (0.37) FLT3ALDH1A1NPC1RAB9ALMNA
SCHEMBL17829166 0.90 PTGES (0.38) FLT3ALDH1A1NPC1RAB9ALMNA
SCHEMBL17831773 0.89 ABCG2 (0.32) ALDH1A1NPC1RAB9ALMNAHTT
SCHEMBL17829192 0.88 PTGES (0.35) ALDH1A1NPC1RAB9ALMNAHTT
SCHEMBL17829181 0.87 FLT3 (0.36) FLT3ALDH1A1NPC1RAB9ALMNA
SCHEMBL17829010 0.85 PTGES (0.39) ALDH1A1NPC1RAB9ALMNAHTT
SCHEMBL17829161 0.84 ABCG2 (0.33) ALDH1A1NPC1RAB9ALMNAHTT
SCHEMBL17831774 0.84 CYP1A2 (0.39) ALDH1A1LMNAHPGDMAPTSMN1; SMN2
SCHEMBL17828977 0.83 ATM (0.39) ALDH1A1NPC1RAB9ALMNAHTT

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 FLT3 2541/4885MAOA 2706/4885ALDH1A1 248/4885

“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.