SCHEMBL20172905

SCHEMBL20172905

CCc1ccccc1N(C)c1cccc2c1sc1c(C(C)(C)C)cccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.33
CYP2D6 P10635 3/20 0.33
ADRA2A P08913 2/20 0.33
SLC6A2 P23975 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
NR1I2 O75469 1/20 0.33
ACHE P22303 1/20 0.33
HTR2A P28223 1/20 0.33
SLC6A4 P31645 1/20 0.33
KCNH2 Q12809 1/20 0.33
SQLE Q14534 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
NPC1 O15118 2/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
MAPT P10636 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
TP53 P04637 1/20 0.31
ALDH1A1 P00352 2/20 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
SCHEMBL21020008 0.90 CYP2D6 (0.33) LMNACYP2D6ADRA2ASLC6A2SIGMAR1
SCHEMBL20172921 0.88 POLQ (0.36) LMNACYP2D6SLC6A2ACHESLC6A4
SCHEMBL21020007 0.86 CYP2D6 (0.38) LMNACYP2D6ADRA2ASLC6A2SIGMAR1
SCHEMBL20172907 0.86 KIF11 (0.35) SIGMAR1TDP1ALDH1A1KIF11TSHR
SCHEMBL20650238 0.86 KMT2A (0.31) LMNACYP2D6ADRA2ASLC6A2SIGMAR1
SCHEMBL20172865 0.83 L3MBTL1 (0.40) LMNACYP2D6CYP1A2CYP2C19NPC1
SCHEMBL20172887 0.82 ALDH1A1 (0.35) LMNACYP2D6CYP1A2CYP2C19NPC1
SCHEMBL20172884 0.82 TP53 (0.36) CYP2D6CYP1A2CYP2C19NPC1MAPT
SCHEMBL20172909 0.82 GABRA1 (0.37) GABRA1GABRB2ALDH1A1KIF11
SCHEMBL20172912 0.81 ACP1 (0.33) CYP2D6CYP1A2KIF11

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 LMNA 4253/4885CYP2D6 694/4885ADRA2A 2706/4885
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 LMNA 3923/4885CYP2D6 691/4885ADRA2A 4236/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 LMNA 4253/4885CYP2D6 694/4885ADRA2A 2706/4885

“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.