SCHEMBL22019938

SCHEMBL22019938

Clc1cccc2c1sc1c3ccccc3ccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.54
CYP2A6 P11509 4/20 0.54
CYP1B1 Q16678 7/20 0.53
CYP1A1 P04798 6/20 0.53
HPRT1 P00492 1/20 0.43
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TSHR P16473 1/20 0.41
MCL1 Q07820 1/20 0.39
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
APEX1 P27695 1/20 0.38
MAPK1 P28482 1/20 0.38
PMP22 Q01453 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37

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
SCHEMBL30154374 0.85 HPRT1 (0.57) CYP1A2CYP2A6CYP1B1CYP1A1HPRT1
SCHEMBL13085236 0.85 HPRT1 (0.57) CYP1A2CYP2A6CYP1B1CYP1A1HPRT1
SCHEMBL24156132 0.80 CYP1A1 (0.49) CYP1A2CYP2A6CYP1B1CYP1A1HPRT1
SCHEMBL30020344 0.80 CYP1A1 (0.49) CYP1A2CYP2A6CYP1B1CYP1A1HPRT1
SCHEMBL22310853 0.80 CYP1B1 (0.46) CYP1A2CYP2A6CYP1B1CYP1A1HPRT1
SCHEMBL24048057 0.80 CYP1B1 (0.46) CYP1A2CYP2A6CYP1B1CYP1A1HPRT1
SCHEMBL21789326 0.79 HPRT1 (0.70) CYP1A2CYP2A6CYP1B1CYP1A1HPRT1
SCHEMBL11942389 0.79 HPRT1 (0.55) CYP1A2CYP2A6CYP1B1CYP1A1HPRT1
SCHEMBL23981335 0.78 CYP1A2 (0.50) CYP1A2CYP2A6CYP1B1CYP1A1HPRT1
SCHEMBL24048050 0.78 CYP1A1 (0.43) CYP1A2CYP2A6CYP1B1CYP1A1HPRT1

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-11800795-B2 Compound for organic electric element, organic electric element using the same, and an electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2023-10-24 US disclosed
US-11800795-B2 Compound for organic electric element, organic electric element using the same, and an electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2023-10-24 US disclosed
US-20230242498-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2023-08-03 US disclosed
US-20230242498-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2023-08-03 US disclosed
US-20230115134-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2023-04-13 US disclosed
WO-2023287228-A1 ORGANIC LIGHT EMITTING DEVICE 주식회사 엘지화학 2023-01-19 WO disclosed
US-20220416174-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2022-12-29 US disclosed
WO-2022045743-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2022-03-03 WO disclosed
US-20220020932-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2022-01-20 US disclosed
WO-2020101169-A1 COMPOUND FOR ORGANIC ELECTRONIC DEVICE, ORGANIC ELECTRONIC DEVICE USING SAME, AND ELECTRONIC APPARATUS THEREOF 덕산네오룩스 주식회사 2020-05-22 WO 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 (4 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-20220020932-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF PIEZO1, OR51E2, OR10J3 CYP1A2 901/4885CYP2A6 1577/4885CYP1B1 1379/4885
US-20230115134-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF PIEZO1, ORAI2, OR10J3 CYP1A2 762/4885CYP2A6 1660/4885CYP1B1 2461/4885
US-11800795-B2 Compound for organic electric element, organic electric element using the same, and an electronic device thereof PIEZO1, ORAI2, OCIAD1 CYP1A2 844/4885CYP2A6 2107/4885CYP1B1 1728/4885
US-20230242498-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME CRY1, CRY2, NR1D1 CYP1A2 55/4885CYP2A6 720/4885CYP1B1 43/4885

“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.