SCHEMBL20172887

SCHEMBL20172887

CCc1ccccc1N(C)c1cccc2c1sc1c(F)cccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
POLB P06746 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
RIPK1 Q13546 2/20 0.33
NPC1 O15118 1/20 0.33
AOC3 Q16853 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTGER1 P34995 1/20 0.32
KDM4E B2RXH2 2/20 0.32
TSPO P30536 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TP53 P04637 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
SCHEMBL21020013 0.90 ALDH1A1 (0.37) ALDH1A1POLBNPSR1CYP1A2CYP2D6
SCHEMBL21020007 0.90 CYP2D6 (0.38) ALDH1A1CYP1A2CYP2D6CYP2C19NPC1
SCHEMBL20172889 0.86 ALDH1A1 (0.34) ALDH1A1POLBNPSR1KDM4ETP53
SCHEMBL20172884 0.86 TP53 (0.36) ALDH1A1CYP1A2CYP2D6CYP2C19NPC1
SCHEMBL20650746 0.84 ALDH1A1 (0.33) ALDH1A1POLBNPSR1CYP1A2CYP2D6
SCHEMBL20172865 0.84 L3MBTL1 (0.40) ALDH1A1CYP1A2CYP2D6CYP2C19NPC1
SCHEMBL20172921 0.84 POLQ (0.36) NPSR1CYP1A2CYP2D6CYP2C19NPC1
SCHEMBL20172885 0.82 ACHE (0.37) ALDH1A1POLBNPSR1CYP1A2LMNA
SCHEMBL21020009 0.82 NPC1 (0.34) CYP1A2CYP2D6CYP2C19NPC1
SCHEMBL20172905 0.82 LMNA (0.33) ALDH1A1CYP1A2CYP2D6CYP2C19NPC1

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 ALDH1A1 87/4885POLB 3877/4885NPSR1 3878/4885
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 ALDH1A1 1103/4885POLB 2893/4885NPSR1 4244/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 ALDH1A1 87/4885POLB 3877/4885NPSR1 3878/4885

“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.