SCHEMBL20172794

SCHEMBL20172794

CCc1ccccc1N(C)c1cccc2c1oc1c(C)cccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.37
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
PRKDC P78527 1/20 0.34
HTT P42858 2/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
GLA P06280 1/20 0.33
STING1 Q86WV6 1/20 0.33
TYMP P19971 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CNR2 P34972 3/20 0.33
GPR55 Q9Y2T6 2/20 0.33
ALOX5 P09917 1/20 0.33
PTGER1 P34995 1/20 0.32

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
SCHEMBL21021446 0.90 ALOX5 (0.38) NPC1TDP1TP53MAPTHTT
SCHEMBL21021443 0.89 GLA (0.36) NPC1PKMTDP1TP53MAPT
SCHEMBL20172797 0.85 MCL1 (0.39) MCL1PRKDCCYP1A2
SCHEMBL20172804 0.84 POLB (0.36) NPC1HTTGABRA1GABRB2GLA
SCHEMBL20172789 0.84 ALOX5 (0.48) NPC1PKMMAPTGLAMEN1
SCHEMBL20172856 0.83 LMNA (0.35) NPC1TDP1MAPTHTTGABRA1
SCHEMBL20172825 0.82 CYP1A2 (0.33) NPC1TDP1PRKDCHTTGABRA1
SCHEMBL21019991 0.82 ELANE (0.34) NPC1TDP1HTTGABRA1GABRB2
SCHEMBL20172814 0.81 ALDH1A1 (0.38) NPC1MAPTHTTMEN1KMT2A
SCHEMBL20172841 0.81 POLQ (0.36) NPC1TP53MAPTMEN1KMT2A

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 MCL1 1592/4885NPC1 3214/4885PKM 4065/4885
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 MCL1 2135/4885NPC1 1478/4885PKM 3147/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 MCL1 1592/4885NPC1 3214/4885PKM 4065/4885

“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.