SCHEMBL20172789

SCHEMBL20172789

CCc1ccccc1N(C)c1cccc2c1oc1ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.48
KDM4E B2RXH2 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GLA P06280 1/20 0.38
DRD4 P21917 1/20 0.38
CYP2C19 P33261 2/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAOA P21397 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
HDAC8 Q9BY41 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RECQL P46063 1/20 0.35
PKM P14618 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 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
SCHEMBL21021446 0.88 ALOX5 (0.38) ALOX5KDM4EL3MBTL1GLACYP2C19
SCHEMBL20172794 0.84 MCL1 (0.37) ALOX5L3MBTL1GLACYP2C19MAPT
SCHEMBL20650740 0.84 ALOX5 (0.47) ALOX5KDM4EL3MBTL1ALDH1A1GLA
SCHEMBL20172804 0.83 POLB (0.36) ALOX5KDM4EALDH1A1GLATSHR
SCHEMBL20172856 0.82 LMNA (0.35) ALOX5KDM4EL3MBTL1CYP2C19MAPT
SCHEMBL10109859 0.81 ALOX5 (0.58) ALOX5KDM4EL3MBTL1ALDH1A1GLA
SCHEMBL21019991 0.81 ELANE (0.34) ALOX5L3MBTL1CYP2C19NPC1LMNA
SCHEMBL20172825 0.81 CYP1A2 (0.33) ALOX5L3MBTL1ALDH1A1CYP2C19NPC1
SCHEMBL20172791 0.80 PGR (0.40) ALOX5KDM4EALDH1A1CYP2C19MAPT
SCHEMBL20172763 0.80 SIGMAR1 (0.45) ALOX5KDM4EL3MBTL1ALDH1A1CYP2C19

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 ALOX5 695/4885KDM4E 1258/4885L3MBTL1 349/4885
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 ALOX5 2172/4885KDM4E 517/4885L3MBTL1 1639/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 ALOX5 695/4885KDM4E 1258/4885L3MBTL1 349/4885

“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.