SCHEMBL22282014

SCHEMBL22282014

c1ccc2c(c1)cc(-c1ccc3cc(-c4ccc5ccc(-c6cc7cccnc7c7ccccc67)nc5c4)ccc3n1)c1ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
POLB P06746 2/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 2/20 0.41
CYP3A4 P08684 3/20 0.39
CYP11B1 P15538 1/20 0.38
TOP1 P11387 5/20 0.37
DYRK1A Q13627 1/20 0.37
CCR1 P32246 3/20 0.37
CCR8 P51685 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP2D6 P10635 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GMNN O75496 1/20 0.35
TP53 P04637 1/20 0.35
HSP90AA1 P07900 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35

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
SCHEMBL23016069 0.96 NPC1 (0.46) NPC1RAB9APOLBALDH1A1LMNA
SCHEMBL24475463 0.95 NPC1 (0.43) NPC1RAB9APOLBALDH1A1LMNA
SCHEMBL22281600 0.95 ALDH1A1 (0.46) NPC1RAB9APOLBALDH1A1LMNA
SCHEMBL24475491 0.92 TOP1 (0.45) NPC1RAB9APOLBALDH1A1LMNA
SCHEMBL24475601 0.92 NPC1 (0.42) NPC1RAB9APOLBLMNACYP3A4
SCHEMBL23016198 0.91 NPC1 (0.46) NPC1RAB9APOLBALDH1A1LMNA
SCHEMBL24475438 0.91 TOP1 (0.40) NPC1RAB9APOLBALDH1A1LMNA
SCHEMBL24475394 0.91 NPC1 (0.41) NPC1RAB9APOLBLMNACYP3A4
SCHEMBL24475492 0.91 NPC1 (0.41) NPC1RAB9APOLBALDH1A1LMNA
SCHEMBL22282053 0.91 NPC1 (0.41) NPC1RAB9APOLBLMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220173329-A1 COMPOUND, ORGANIC OPTOELECTRONIC DIODE, AND DISPLAY DEVICE LT MATERIALS CO., LTD. (KR) 2022-06-02 US disclosed
WO-2020153740-A1 COMPOSITION, ORGANIC OPTOELECTRONIC DIODE, AND DISPLAY DEVICE 엘티소재주식회사 2020-07-30 WO 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-20220173329-A1 COMPOUND, ORGANIC OPTOELECTRONIC DIODE, AND DISPLAY DEVICE OXER1, OCIAD1, OR10J3 NPC1 953/4885RAB9A 2499/4885POLB 3997/4885

“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.