SCHEMBL17829197

SCHEMBL17829197

Fc1cccc(-c2cccc(-c3nc(-c4cc(-n5c6ccccc6c6c(-c7cccc8c7c7ccccc7n8-c7ccccc7)cccc65)cc(-n5c6ccccc6c6c(-c7cccc8c7c7ccccc7n8-c7ccccc7)cccc65)c4)c4c(ccc5ccccc54)n3)c2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 5/20 0.35
NT5E P21589 2/20 0.33
USP2 O75604 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ADORA2A P29274 1/20 0.33
ALDH1A1 P00352 4/20 0.32
HPGD P15428 2/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
KDM4E B2RXH2 2/20 0.31
MAPT P10636 2/20 0.31
RXFP1 Q9HBX9 1/20 0.31
APOBEC3G Q9HC16 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 0.90 PTGES (0.36) ABCG2NT5EUSP2CYP1A2CYP3A4
SCHEMBL17829168 0.89 NT5E (0.36) ABCG2NT5EUSP2CYP1A2CYP3A4
SCHEMBL17829143 0.88 PTGES (0.35) ABCG2NT5EUSP2CYP1A2CYP3A4
SCHEMBL17829180 0.88 PTGES (0.35) ABCG2NT5EUSP2CYP1A2CYP3A4
SCHEMBL17829161 0.86 ABCG2 (0.33) ABCG2NT5EUSP2CYP1A2CYP3A4
SCHEMBL17829181 0.85 FLT3 (0.36) ABCG2CYP1A2ALDH1A1HPGDLMNA
SCHEMBL17831783 0.85 ABCG2 (0.35) ABCG2ALDH1A1HPGDLMNAKDM4E
SCHEMBL17829018 0.83 PTGES (0.39) ABCG2TSHRHSD17B10ALDH1A1HPGD
SCHEMBL17828974 0.83 ATM (0.38) ABCG2TSHRHSD17B10ALDH1A1HPGD
SCHEMBL17828975 0.82 ATM (0.38) ABCG2TSHRHSD17B10ALDH1A1HPGD

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 ABCG2 4502/4885NT5E 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.