SCHEMBL21863121

SCHEMBL21863121

c1ccc2cc(-c3nc(-c4cccc5oc6ccc(-n7c8ccccc8c8cc9ccccc9cc87)cc6c45)nc4c3oc3ccccc34)ccc2c1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 2/20 0.30
HPGD P15428 2/20 0.30
TSHR P16473 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL24118962 0.93 ALDH1A1 (0.34) NPC1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL21863115 0.90 NPC1 (0.33) NPC1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL24118975 0.90 NPC1 (0.35) NPC1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL23740527 0.89 TUBB4A (0.32)
SCHEMBL23740355 0.89 PIM1 (0.37) CYP1A2CYP2C9CYP2C19ALDH1A1HPGD
SCHEMBL23154951 0.89 NPC1 (0.34) NPC1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL21863100 0.88 NPC1 (0.33) NPC1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL23740434 0.87 TSHR (0.33) CYP1A2CYP2C9CYP2C19ALDH1A1HPGD
SCHEMBL24118920 0.87
SCHEMBL26415865 0.87 TSHR (0.34) CYP1A2CYP2C9CYP2C19ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210395263-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT EMITTING DIODE COMPRISING SAME, COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT EMITTING DIODE, AND METHOD FOR MANUFACTURING ORGANIC LIGHT EMITTING DIODE LT MATERIALS CO., LTD. (KR) 2021-12-23 US disclosed
EP-3862353-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT EMITTING DIODE COMPRISING SAME, COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT EMITTING DIODE, AND METHOD FOR MANUFACTURING ORGANIC LIGHT EMITTING DIODE LT Materials Co., Ltd. (KR) 2021-08-11 EP disclosed
WO-2020071778-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT EMITTING DIODE COMPRISING SAME, COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT EMITTING DIODE, AND METHOD FOR MANUFACTURING ORGANIC LIGHT EMITTING DIODE 엘티소재주식회사 2020-04-09 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-20210395263-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT EMITTING DIODE COMPRISING SAME, COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT EMITTING DIODE, AND METHOD FOR MANUFACTURING ORGANIC LIGHT EMITTING DIODE ODC1, AOX1, CYP1B1 NPC1 1974/4885CYP1A2 16/4885CYP2C9 5/4885

“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.