SCHEMBL20172825

SCHEMBL20172825

CCc1ccccc1N(C)c1cccc2c1oc1c(C(C)(C)C)cccc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
HIF1A Q16665 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.32
GABRA1 P14867 2/20 0.31
GABRB2 P47870 2/20 0.31
LMNA P02545 4/20 0.31
ADRA2A P08913 2/20 0.31
CYP2D6 P10635 2/20 0.31
SLC6A2 P23975 2/20 0.31
SIGMAR1 Q99720 2/20 0.31
NR1I2 O75469 1/20 0.31
ACHE P22303 1/20 0.31
HTR2A P28223 1/20 0.31
SLC6A4 P31645 1/20 0.31
KCNH2 Q12809 1/20 0.31
ALOX5 P09917 1/20 0.31

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
SCHEMBL21021447 0.90 ALOX5 (0.33) CYP1A2CYP2C19HTTHIF1ATDP1
SCHEMBL20172841 0.88 POLQ (0.36) NPC1LMNASLC6A2ACHESLC6A4
SCHEMBL21021446 0.86 ALOX5 (0.38) CYP1A2CYP2C19HTTHIF1ATDP1
SCHEMBL20172831 0.86 KIF11 (0.35) CYP2C19TDP1SIGMAR1ALDH1A1KMT2A
SCHEMBL20650481 0.86 ALOX5 (0.30) GABRA1GABRB2LMNAALOX5ALDH1A1
SCHEMBL20172830 0.82 GABRA1 (0.37) CYP2C19GABRA1GABRB2ALDH1A1KMT2A
SCHEMBL20172794 0.82 MCL1 (0.37) CYP1A2CYP2C19HTTHIF1ATDP1
SCHEMBL20172804 0.81 POLB (0.36) HTTNPC1GABRA1GABRB2LMNA
SCHEMBL20172826 0.81 KIF11 (0.32) CYP2C19KMT2AKIF11
SCHEMBL20172828 0.81 ACP1 (0.33) CYP1A2CYP2C19CYP2D6KMT2AKIF11

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-10651411-B2 Compound and organic light emitting device containing same LG CHEM, LTD. (KR) 2020-05-12 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 (2 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 609/4885HTT 3731/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 CYP1A2 356/4885CYP2C19 609/4885HTT 3731/4885

“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.