SCHEMBL17829180

SCHEMBL17829180

Fc1cccc(-c2cccc(-c3nc(-c4cc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)cc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)c4)c4c(ccc5ccccc54)n3)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.35
NT5E P21589 2/20 0.34
USP2 O75604 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TGM2 P21980 1/20 0.33
ABCG2 Q9UNQ0 2/20 0.32
ADORA2A P29274 1/20 0.32
PTGER4 P35408 1/20 0.32
PIK3CA P42336 3/20 0.32
PIK3CD O00329 2/20 0.32
MTOR P42345 2/20 0.32
MAPT P10636 1/20 0.32
PTGER1 P34995 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
SCHEMBL17829164 0.97 PTGES (0.36) PTGESNT5EUSP2CYP1A2CYP3A4
SCHEMBL17829143 0.95 PTGES (0.35) PTGESNT5EUSP2CYP1A2CYP3A4
SCHEMBL17829168 0.95 NT5E (0.36) PTGESNT5EUSP2CYP1A2CYP3A4
SCHEMBL17829018 0.91 PTGES (0.39) PTGESTSHRHSD17B10ABCG2PTGER4
SCHEMBL17829161 0.90 ABCG2 (0.33) NT5EUSP2CYP1A2CYP3A4CYP2C9
SCHEMBL17829220 0.89 PTGES (0.40) PTGESTSHRHSD17B10ABCG2PTGER4
SCHEMBL18213943 0.89 PTGES (0.40) PTGESTSHRHSD17B10ABCG2PTGER4
SCHEMBL17829039 0.89 PTGES (0.37) PTGESPTGER4MAPT
SCHEMBL17828936 0.88 PTGES (0.39) PTGESTSHRHSD17B10PTGER4MAPT
SCHEMBL17828901 0.88 PTGES (0.41) PTGESTSHRHSD17B10ABCG2PTGER4

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-9508939-B2 Compound and organic electroluminescent element produced using same IDEMITSU KOSAN CO., LTD. (JP) 2016-11-29 US disclosed
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
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 3205/4885NT5E 4042/4885USP2 4335/4885

“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.