SCHEMBL20172791

SCHEMBL20172791

Cc1ccccc1N(C)c1cccc2c1oc1ccccc12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.40
AHR P35869 1/20 0.39
ALOX5 P09917 3/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP2C19 P33261 1/20 0.37
TP53 P04637 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
KDM4E B2RXH2 3/20 0.36
MAOA P21397 3/20 0.36
ALDH1A1 P00352 3/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 2/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.35
TTR P02766 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 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
SCHEMBL21020264 0.87 LMNA (0.39) PGRAHRALOX5MEN1KMT2A
SCHEMBL20172797 0.87 MCL1 (0.39) MAOAALDH1A1
SCHEMBL20172763 0.84 SIGMAR1 (0.45) PGRAHRALOX5MEN1KMT2A
SCHEMBL20172788 0.83 ALOX5 (0.38) PGRAHRALOX5MEN1KMT2A
SCHEMBL15747049 0.82 TOP2A (0.44) PGRAHRALOX5MEN1KMT2A
SCHEMBL17933247 0.81 C5AR1 (0.38) PGRALOX5MEN1KMT2ACYP2C19
SCHEMBL20172790 0.81 ALOX5 (0.37) PGRAHRALOX5MEN1KMT2A
SCHEMBL20172802 0.81 ACHE (0.37) ALDH1A1RAB9ALMNANPC1MAPT
SCHEMBL19929766 0.81 ALOX5 (0.43) PGRAHRALOX5MEN1KMT2A
SCHEMBL15851642 0.81 AHR (0.38) PGRAHRALOX5MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020159279-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME 주식회사 엘지화학 2020-08-06 WO disclosed
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 PGR 3246/4885AHR 375/4885ALOX5 695/4885
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 PGR 979/4885AHR 1313/4885ALOX5 2172/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 PGR 3246/4885AHR 375/4885ALOX5 695/4885

“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.