SCHEMBL22688546

SCHEMBL22688546

CC1(C)c2ccccc2-c2c(Br)cc3ccccc3c21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
PDK2 Q15119 3/20 0.36
ALDH1A1 P00352 5/20 0.35
HSD17B10 Q99714 4/20 0.35
MAPK1 P28482 3/20 0.35
HPGD P15428 3/20 0.35
HIF1A Q16665 3/20 0.35
TYMS P04818 3/20 0.35
TSHR P16473 2/20 0.35
CASP1 P29466 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
CES1 P23141 1/20 0.34
CYP1A2 P05177 3/20 0.33
CYP1B1 Q16678 1/20 0.33
DHFR P00374 3/20 0.33

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
SCHEMBL26557664 0.88 CES1 (0.37) CYP2D6CYP2C19PDK2ALDH1A1HSD17B10
SCHEMBL23287614 0.83 PDK2 (0.36) CYP2D6CYP2C19PDK2ALDH1A1HSD17B10
SCHEMBL19152537 0.81 CAMK2D (0.36) ALDH1A1HSD17B10MAPK1HPGDHIF1A
SCHEMBL26399498 0.81 TRPM4 (0.42) PDK2ALDH1A1HSD17B10MAPK1HPGD
SCHEMBL20582020 0.81 ALDH1A1 (0.36) PDK2ALDH1A1HSD17B10MAPK1HPGD
SCHEMBL26380587 0.81 PDK2 (0.38) PDK2ALDH1A1HSD17B10MAPK1HPGD
SCHEMBL22000314 0.79 PDK2 (0.40) CYP2D6CYP2C19PDK2ALDH1A1HSD17B10
SCHEMBL23287616 0.79 DHFR (0.34) CYP2D6CYP2C19PDK2ALDH1A1HSD17B10
SCHEMBL23288325 0.77 PRKCZ (0.40) PDK2ALDH1A1HSD17B10MAPK1HPGD
SCHEMBL30038894 0.76 PDK2 (0.45) PDK2ALDH1A1TYMSL3MBTL1MEN1

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-12415823-B2 Heterocyclic compound and organic light-emitting device comprising same LT MATERIALS CO., LTD. (KR) 2025-09-16 US disclosed
EP-4050001-B1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LT MATERIALS CO LTD (KR) 2025-05-21 EP disclosed
US-11711973-B2 Organic electronic device DUK SAN NEOLUX CO., LTD. (KR) 2023-07-25 US disclosed
US-11711973-B2 Organic electronic device DUK SAN NEOLUX CO., LTD. (KR) 2023-07-25 US disclosed
US-20220289693-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LT MATERIALS CO., LTD. (KR) 2022-09-15 US disclosed
EP-4050001-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LT Materials Co., Ltd. (KR) 2022-08-31 EP disclosed
CN-114072383-A Heterocyclic compound and organic light-emitting element including same LT素材株式会社 2022-02-18 CN disclosed
WO-2021080282-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 엘티소재주식회사 2021-04-29 WO disclosed
WO-2021080282-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 엘티소재주식회사 2021-04-29 WO disclosed
WO-2020231197-A1 ORGANIC ELECTRIC ELEMENT COMPRISING COMPOUND FOR ORGANIC ELECTRIC ELEMENT, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2020-11-19 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 (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-20220289693-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, CYP1A1, CYP1B1 CYP2D6 40/4885CYP2C19 10/4885PDK2 1166/4885
US-12415823-B2 Heterocyclic compound and organic light-emitting device comprising same CRY1, CYP1A1, CYP1B1 CYP2D6 40/4885CYP2C19 10/4885PDK2 1166/4885

“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.