SCHEMBL22019099

SCHEMBL22019099

Clc1cccc2oc3ccc4ccccc4c3c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.52
▸ CYP2A6 P11509 3/20 0.52
▸ TDP1 Q9NUW8 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ AHR P35869 5/20 0.43
▸ ABCG2 Q9UNQ0 3/20 0.41
▸ CYP1A1 P04798 1/20 0.41
▸ FYN P06241 1/20 0.41
▸ MAPK3 P27361 1/20 0.41
▸ PAX8 Q06710 1/20 0.41
▸ TTR P02766 1/20 0.41
▸ HNF4A P41235 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ XRCC6 P12956 1/20 0.39
▸ XRCC5 P13010 1/20 0.39
▸ PRKDC P78527 1/20 0.39
▸ HPGD P15428 2/20 0.39
▸ THRB P10828 1/20 0.39

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
SCHEMBL29839519 1.00 CYP1A2 (0.52) CYP1A2CYP2A6TDP1L3MBTL1AHR
SCHEMBL20346635 0.86 TTR (0.50) CYP1A2CYP2A6TDP1L3MBTL1AHR
SCHEMBL23287879 0.86 AHR (0.44) CYP1A2CYP2A6TDP1L3MBTL1AHR
SCHEMBL13935797 0.84 TDP1 (0.52) CYP1A2CYP2A6TDP1L3MBTL1AHR
SCHEMBL415466 0.84 TDP1 (0.55) CYP1A2CYP2A6TDP1L3MBTL1AHR
SCHEMBL30091394 0.84 TDP1 (0.55) CYP1A2CYP2A6TDP1L3MBTL1AHR
SCHEMBL21331568 0.81 AHR (0.54) CYP1A2CYP2A6TDP1L3MBTL1AHR
SCHEMBL24034361 0.81 AHR (0.50) CYP1A2CYP2A6TDP1L3MBTL1AHR
SCHEMBL21019890 0.80 TDP1 (0.61) CYP1A2CYP2A6TDP1L3MBTL1AHR
SCHEMBL24156128 0.80 AHR (0.46) CYP1A2CYP2A6TDP1L3MBTL1AHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023191353-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, AND COMPOSITION COMPRISING SAME FOR FORMING ORGANIC LAYER 엘티소재주식회사 2023-10-05 — — WO disclosed
US-20230057581-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME, AND COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT-EMITTING DIODE LT MATERIALS CO., LTD. (KR) 2023-02-23 — — US disclosed
US-20220407010-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2022-12-22 — — US 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-2021132982-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME, AND COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT-EMITTING DIODE 엘티소재주식회사 2021-07-01 — — WO 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 (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-20220020932-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF PIEZO1, OR51E2, OR10J3 CYP1A2 901/4885CYP2A6 1577/4885TDP1 2187/4885
US-20230057581-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME, AND COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT-EMITTING DIODE ORC3, ODC1, CRY1 CYP1A2 191/4885CYP2A6 1515/4885TDP1 2904/4885
US-20220407010-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE OCIAD2, OCIAD1, OXER1 CYP1A2 460/4885CYP2A6 1291/4885TDP1 3554/4885

“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.

Send feedback