SCHEMBL17829192

SCHEMBL17829192

Cc1ccc(-c2cccc(-c3nc(-c4cc(-n5c6ccc(-c7ccccc7)cc6c6cc(-c7ccc8c(c7)c7cc(-c9ccccc9)ccc7n8-c7ccccc7)ccc65)cc(-n5c6ccc(-c7ccccc7)cc6c6cc(-c7ccc8c(c7)c7cc(-c9ccccc9)ccc7n8-c7ccccc7)ccc65)c4)nc4ccc5ccccc5c34)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.35
NPC1 O15118 2/20 0.34
HTT P42858 2/20 0.34
RAB9A P51151 2/20 0.34
XBP1 P17861 1/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 6/20 0.34
LMNA P02545 2/20 0.34
EGFR P00533 1/20 0.34
ERBB2 P04626 1/20 0.34
GAA P10253 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
PTGER4 P35408 1/20 0.34
TP53 P04637 1/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP1B1 Q16678 1/20 0.33
RXFP1 Q9HBX9 2/20 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
SCHEMBL17829166 0.98 PTGES (0.38) PTGESNPC1HTTRAB9AXBP1
SCHEMBL17829178 0.96 PTGES (0.37) PTGESNPC1HTTRAB9AXBP1
SCHEMBL17829010 0.93 PTGES (0.39) PTGESNPC1HTTRAB9AATM
SCHEMBL17829185 0.92 PTGES (0.35) PTGESNPC1HTTRAB9AXBP1
SCHEMBL17829181 0.91 FLT3 (0.36) NPC1HTTRAB9AXBP1ATM
SCHEMBL17828937 0.90 PTGES (0.37) PTGESNPC1HTTRAB9AATM
SCHEMBL17829018 0.90 PTGES (0.39) PTGESNPC1HTTRAB9AATM
SCHEMBL17829007 0.89 PTGES (0.40) PTGESNPC1HTTRAB9AATM
SCHEMBL17828983 0.89 PTGES (0.37) PTGESNPC1HTTRAB9AATM
SCHEMBL17828936 0.89 PTGES (0.39) PTGESNPC1HTTRAB9AATM

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 PTGES 3205/4885NPC1 1890/4885HTT 4340/4885

“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.