SCHEMBL21362350

SCHEMBL21362350

c1ccc(Oc2cccc(Oc3cc(-n4ccnc4)cc4c3oc3ccccc34)c2)nc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 3/20 0.39
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
CYP3A4 P08684 3/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP1A2 P05177 1/20 0.36
GRM5 P41594 1/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
PTGS2 P35354 1/20 0.35
CYP19A1 P11511 3/20 0.34
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34

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
SCHEMBL21362324 0.91 NPC1 (0.40) NOS2NPC1MAPTCYP3A4CYP2D6
SCHEMBL21362326 0.88 NPC1 (0.40) NOS2NPC1MAPTCYP3A4CYP2D6
SCHEMBL21362373 0.83 NPC1 (0.41) NOS2NPC1MAPTCYP3A4CYP2D6
SCHEMBL21362375 0.79 TSHR (0.40) NOS2NPC1MAPTCYP3A4CYP2D6
SCHEMBL21362370 0.79 MAPT (0.36) NPC1MAPTGRM5USP2LMNA
SCHEMBL23437641 0.78 CYP19A1 (0.46) NPC1CYP3A4CYP2D6CYP1A2LMNA
SCHEMBL21362345 0.78 CYP3A4 (0.33) NOS2NPC1MAPTCYP3A4CYP2D6
SCHEMBL21362327 0.74 NPC1 (0.53) NOS2NPC1MAPTCYP3A4USP2
SCHEMBL21362325 0.73 CYP11B1 (0.40) NOS2NPC1MAPTCYP3A4CYP19A1
SCHEMBL23437642 0.72 MAPT (0.31) MAPTLMNANPSR1CYP19A1

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 NOS2 1192/4885NPC1 4210/4885MAPT 463/4885

“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.