SCHEMBL21362345

SCHEMBL21362345

c1ccc(N(c2cc(Oc3cccc(-n4ccnc4)c3)c3oc4ccccc4c3c2)c2ccccn2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.33
F10 P00742 2/20 0.33
F2 P00734 1/20 0.33
TSHR P16473 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP1A2 P05177 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
CYP19A1 P11511 4/20 0.32
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32
IDO1 P14902 1/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
NOS2 P35228 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
SCHEMBL21362348 0.81 NPC1 (0.31) NPC1MAPT
SCHEMBL21362324 0.81 NPC1 (0.40) CYP3A4F10F2CYP2D6CYP2C9
SCHEMBL22939062 0.81 CYP3A4 (0.44) CYP3A4F10TSHRCYP2D6CYP2C9
SCHEMBL23424278 0.80 CYP3A4 (0.42) CYP3A4F10F2TSHRCYP2D6
SCHEMBL21362326 0.79 NPC1 (0.40) CYP3A4F10F2CYP2D6CYP2C9
SCHEMBL21362350 0.78 NOS2 (0.39) CYP3A4F10F2CYP2D6CYP2C9
SCHEMBL21362369 0.76 TSHR (0.39) CYP3A4F10F2TSHRCYP2D6
SCHEMBL21362375 0.72 TSHR (0.40) CYP3A4TSHRCYP2D6CYP2C9CYP1A2
SCHEMBL21362325 0.72 CYP11B1 (0.40) CYP3A4F10F2NPC1MAPT
SCHEMBL21362344 0.71 AHR (0.34) TSHRNPC1MAPTKDM4EUSP2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190288223-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-19 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-20190288223-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME TPO, RPLP0, RPS10 CYP3A4 1873/4885F10 96/4885F2 908/4885

“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.