SCHEMBL17829168

SCHEMBL17829168

Fc1cccc(-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)c4c(ccc5ccccc54)n3)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NT5E P21589 2/20 0.36
TGM2 P21980 1/20 0.35
ABCG2 Q9UNQ0 4/20 0.34
ADORA2A P29274 1/20 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
PTGES O14684 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
DPP4 P27487 1/20 0.32
DHODH Q02127 1/20 0.32

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) NT5ETGM2ABCG2ADORA2AUSP2
SCHEMBL17829180 0.95 PTGES (0.35) NT5ETGM2ABCG2ADORA2AUSP2
SCHEMBL17829143 0.95 PTGES (0.35) NT5ETGM2ABCG2ADORA2AUSP2
SCHEMBL17829018 0.93 PTGES (0.39) ABCG2TSHRHSD17B10PTGES
SCHEMBL17829039 0.90 PTGES (0.37) PTGES
SCHEMBL17828937 0.90 PTGES (0.37) ABCG2TSHRHSD17B10PTGES
SCHEMBL17829197 0.89 ABCG2 (0.35) NT5EABCG2ADORA2AUSP2CYP1A2
SCHEMBL17829010 0.89 PTGES (0.39) ABCG2TSHRHSD17B10PTGES
SCHEMBL17828906 0.89 PTGES (0.37) ABCG2TSHRHSD17B10PTGES
SCHEMBL17828936 0.88 PTGES (0.39) TSHRHSD17B10PTGES

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 NT5E 4042/4885TGM2 1586/4885ABCG2 4502/4885

“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.