SCHEMBL17828746

SCHEMBL17828746

Fc1ccc(-c2nc(-c3cccc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccc7c(c6)c6cc(-c8ccccc8)ccc6n7-c6ccccc6)ccc54)c3)c3ccc4ccccc4c3n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 3/20 0.39
PIK3CA P42336 4/20 0.37
MTOR P42345 3/20 0.37
PIK3CD O00329 3/20 0.37
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP1B1 Q16678 1/20 0.35
METTL3 Q86U44 1/20 0.34
METTL14 Q9HCE5 1/20 0.34
MAPT P10636 2/20 0.33
DPP4 P27487 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
PGR P06401 1/20 0.33
ABCG2 Q9UNQ0 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
SCHEMBL17828776 0.97 PIK3CA (0.37) NR3C1PIK3CAMTORPIK3CDEGFR
SCHEMBL17828777 0.95 PIK3CA (0.36) NR3C1PIK3CAMTORPIK3CDEGFR
SCHEMBL17828993 0.95 CYP1A1 (0.38) NR3C1EGFRERBB2CYP1A1CYP1A2
SCHEMBL17829004 0.95 CYP1A1 (0.38) NR3C1EGFRERBB2CYP1A1CYP1A2
SCHEMBL17828999 0.93 ATM (0.38) NR3C1CYP1A1CYP1A2CYP1B1KDM4E
SCHEMBL17828722 0.92 NR3C1 (0.39) NR3C1PIK3CAMTORPIK3CDEGFR
SCHEMBL17828752 0.92 CYP1A1 (0.36) NR3C1PIK3CAMTORPIK3CDEGFR
SCHEMBL17828991 0.92 ATM (0.38) EGFRERBB2CYP1A1CYP1A2CYP1B1
SCHEMBL18213946 0.92 ATM (0.38) EGFRERBB2CYP1A1CYP1A2CYP1B1
SCHEMBL17829082 0.92 CYP1A1 (0.39) NR3C1EGFRERBB2CYP1A1CYP1A2

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 NR3C1 3085/4885PIK3CA 4604/4885MTOR 3428/4885

“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.