SCHEMBL20172764

SCHEMBL20172764

CN(c1ccc2ccccc2c1)c1cccc2c1oc1ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
NPC1 O15118 1/20 0.38
CYP2C9 P11712 1/20 0.38
RAB9A P51151 1/20 0.38
ALOX5 P09917 3/20 0.37
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TNKS O95271 1/20 0.35
AHR P35869 1/20 0.35
MCL1 Q07820 1/20 0.35
DHFR P00374 1/20 0.34
KDM4E B2RXH2 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PGR P06401 1/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1B1 Q16678 1/20 0.33

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
SCHEMBL25637800 0.86 MAPT (0.42) CYP1A2CYP2C19NPC1RAB9AALOX5
SCHEMBL17737631 0.86 NPC1 (0.39) CYP1A2CYP2C19NPC1CYP2C9RAB9A
SCHEMBL15747049 0.82 TOP2A (0.44) CYP2C19NPC1RAB9AALOX5HTT
SCHEMBL17737629 0.82 ALOX5 (0.38) CYP1A2CYP2C19NPC1CYP2C9RAB9A
SCHEMBL17933247 0.81 C5AR1 (0.38) CYP2C19NPC1RAB9AALOX5HTT
SCHEMBL24471774 0.81 ALOX5 (0.41) CYP1A2CYP2C19NPC1CYP2C9RAB9A
SCHEMBL18540441 0.81 NPC1 (0.36) CYP1A2CYP2C19NPC1CYP2C9RAB9A
SCHEMBL20172763 0.81 SIGMAR1 (0.45) CYP1A2CYP2C19NPC1RAB9AALOX5
SCHEMBL18627678 0.81 TNKS (0.41) CYP2C19CYP2C9ALOX5TNKSAHR
SCHEMBL20172767 0.81 ALOX5 (0.39) CYP1A2NPC1RAB9AALOX5HTT

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-10651411-B2 Compound and organic light emitting device containing same LG CHEM, LTD. (KR) 2020-05-12 US disclosed
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2019-05-23 US disclosed
US-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG CHEM, LTD. (KR) 2018-05-24 US disclosed
US-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG CHEM, LTD. (KR) 2018-05-24 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 (3 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-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME CRY1, CRY2, OR10J3 CYP1A2 356/4885CYP2C19 609/4885NPC1 3214/4885
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 CYP1A2 563/4885CYP2C19 663/4885NPC1 1478/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 CYP1A2 356/4885CYP2C19 609/4885NPC1 3214/4885

“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.