SCHEMBL17828709

SCHEMBL17828709

Fc1ccc2cc(-c3nc(-c4ccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc4)nc4c3ccc3ccccc34)ccc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.36
PIK3CD O00329 2/20 0.36
MTOR P42345 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36
DHODH Q02127 1/20 0.34
CYP2A6 P11509 1/20 0.32
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
PRSS1 P07477 1/20 0.32
NR3C1 P04150 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
GRIA1 P42261 1/20 0.31
CACNG8 Q8WXS5 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
SCHEMBL17828725 0.95 PIK3CA (0.37) PIK3CAPIK3CDMTORCYP1A2CYP1A1
SCHEMBL17828715 0.94 PIK3CA (0.39) PIK3CAPIK3CDMTORCYP1A2CYP1A1
SCHEMBL17829092 0.93 CYP1A2 (0.39) PIK3CAPIK3CDMTORCYP1A2CYP1A1
SCHEMBL17829051 0.93 CYP1A1 (0.39) PIK3CAPIK3CDMTORCYP1A2CYP1A1
SCHEMBL17828742 0.92 PIK3CA (0.38) PIK3CAPIK3CDMTORCYP1A2CYP1A1
SCHEMBL17828722 0.90 NR3C1 (0.39) PIK3CAPIK3CDMTORCYP1A2CYP1A1
SCHEMBL17828752 0.90 CYP1A1 (0.36) PIK3CAPIK3CDMTORCYP1A2CYP1A1
SCHEMBL17829052 0.89 CYP1A1 (0.41) CYP1A2CYP1A1CYP1B1F2F10
SCHEMBL17828855 0.88 CYP1A1 (0.37) PIK3CAPIK3CDMTORCYP1A2CYP1A1
SCHEMBL17828776 0.87 PIK3CA (0.37) PIK3CAPIK3CDMTORCYP1A2CYP1A1

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 PIK3CA 4604/4885PIK3CD 4815/4885MTOR 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.