SCHEMBL21906402

SCHEMBL21906402

Cc1ccc(-c2ccc(-c3ccc(Cl)cc3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
CES2 O00748 1/20 0.54
CES1 P23141 1/20 0.54
NPSR1 Q6W5P4 1/20 0.53
NR1H4 Q96RI1 1/20 0.52
PTGS2 P35354 1/20 0.52
LMNA P02545 1/20 0.50
CYP2A6 P11509 1/20 0.50
ACHE P22303 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
CYP2C19 P33261 1/20 0.48
HSD17B10 Q99714 1/20 0.48
AHR P35869 1/20 0.48

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
SCHEMBL425166 1.00 CYP1A2 (0.55) CYP1A2CES2CES1NPSR1NR1H4
SCHEMBL23353552 0.92 AHR (0.54) CYP1A2CES2CES1NPSR1NR1H4
SCHEMBL28225760 0.90 CES2 (0.56) CYP1A2CES2CES1NPSR1NR1H4
SCHEMBL12679 0.90
SCHEMBL28318341 0.90 CES2 (0.62) CES2CES1NR1H4PTGS2LMNA
SCHEMBL6203955 0.90
Benzidine SCHEMBL28531320 0.87 ACHE (0.62) CYP1A2CES2CES1NPSR1NR1H4
Phosphine SCHEMBL22129260 0.87
Bromide SCHEMBL28687084 0.87 CES2 (0.59) CES2CES1NR1H4PTGS2LMNA
Hydrochloric Acid SCHEMBL8996220 0.87

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11991926-B2 Organic electroluminescent device LG DISPLAY CO., LTD. (KR) 2024-05-21 US disclosed
CN-111138342-B Novel compound and organic electroluminescent device comprising the same 乐金显示有限公司 2023-10-31 CN disclosed
CN-111834535-B organic electroluminescent device 乐金显示有限公司 2023-09-01 CN disclosed
US-11744145-B2 Organic compound and organic electroluminescent device comprising the same LG DISPLAY CO., LTD. (KR) 2023-08-29 US disclosed
US-11744145-B2 Organic compound and organic electroluminescent device comprising the same LG DISPLAY CO., LTD. (KR) 2023-08-29 US disclosed
US-11545630-B2 Compound and organic electroluminescent device comprising the same LG DISPLAY CO., LTD. (KR) 2023-01-03 US disclosed
US-20200335705-A1 ORGANIC ELECTROLUMINESCENT DEVICE LG DISPLAY CO., LTD. (KR) 2020-10-22 US disclosed
US-20200144509-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME MATERIAL SCIENCE CO., LTD. (KR) 2020-05-07 US disclosed
US-20200144509-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME MATERIAL SCIENCE CO., LTD. (KR) 2020-05-07 US disclosed
US-20200144506-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME MATERIAL SCIENCE CO., LTD. (KR) 2020-05-07 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-11545630-B2 Compound and organic electroluminescent device comprising the same PIEZO1, KCNN2, ORAI2 CYP1A2 1643/4885CES2 392/4885CES1 3806/4885
US-20200144509-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME PIEZO1, KCNN2, HCN2 CYP1A2 2618/4885CES2 600/4885CES1 4272/4885

“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.