SCHEMBL20110016

SCHEMBL20110016

COc1cccc(OC)c1-c1ccc(Br)cc1F

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.46
BCHE P06276 1/20 0.44
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.41
MC4R P32245 2/20 0.40
ACLY P53396 1/20 0.40
AMY1A P0DUB6 1/20 0.39
TOP1 P11387 1/20 0.39
MAPK14 Q16539 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
EGFR P00533 1/20 0.38
RET P07949 1/20 0.38
KIF5B P33176 1/20 0.38
KDR P35968 1/20 0.38
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RPS6KA2 Q15349 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
SCHEMBL29991342 1.00 ACHE (0.46) ACHEBCHENPC1HTTMC4R
SCHEMBL27013899 0.91 ACHE (0.42) ACHEBCHENPC1HTTMC4R
SCHEMBL18382944 0.86 NPC1 (0.47) ACHEBCHENPC1HTTMC4R
SCHEMBL1355299 0.83 NPC1 (0.50) ACHEBCHENPC1HTTMC4R
SCHEMBL18842458 0.81 MAPT (0.57) ACHENPC1HTTACLYAMY1A
SCHEMBL27164750 0.80 BRD4 (0.43) ACHEBCHENPC1HTTMC4R
SCHEMBL24196826 0.79 TOP1 (0.39) HTTTOP1MAPK14PTGS1PTGS2
SCHEMBL21108850 0.79 TGFBR1 (0.42) AMY1ATOP1MAPK14PTGS1PTGS2
SCHEMBL24502998 0.79 AMY1A (0.45) ACHEBCHENPC1HTTACLY
SCHEMBL27013934 0.78 NPC1 (0.43) ACHEBCHENPC1HTTAMY1A

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-20240023436-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2024-01-18 US disclosed
US-20240023436-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2024-01-18 US disclosed
US-11482676-B2 Light emitting diode including boron compound SFC CO., LTD. (KR) 2022-10-25 US disclosed
WO-2021210305-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE 出光興産株式会社 2021-10-21 WO disclosed
WO-2021210305-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE 出光興産株式会社 2021-10-21 WO disclosed
EP-3792989-A1 ORGANIC LIGHT EMITTING DIODE INCLUDING BORON COMPOUNDS SFC Co., Ltd. (KR) 2021-03-17 EP disclosed
US-20210036233-A1 LIGHT EMITTING DIODE INCLUDING BORON COMPOUND SFC CO., LTD. (KR) 2021-02-04 US disclosed
US-10693084-B2 Compound for organic light-emitting device and organic light-emitting device including same SFC CO., LTD. (KR) 2020-06-23 US disclosed
US-20180123055-A1 COMPOUND FOR ORGANIC LIGHT-EMITTING DEVICE AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING SAME SFC CO., LTD. (KR) 2018-05-03 US disclosed
US-20180123055-A1 COMPOUND FOR ORGANIC LIGHT-EMITTING DEVICE AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING SAME SFC CO., LTD. (KR) 2018-05-03 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-10693084-B2 Compound for organic light-emitting device and organic light-emitting device including same CYP1B1, CYP1A1, CRY2 ACHE 772/4885BCHE 1075/4885NPC1 3422/4885
US-20240023436-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE EED, EML4, ESR1 ACHE 805/4885BCHE 2871/4885NPC1 3405/4885
US-20180123055-A1 COMPOUND FOR ORGANIC LIGHT-EMITTING DEVICE AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING SAME CYP1B1, CYP1A1, CRY2 ACHE 772/4885BCHE 1075/4885NPC1 3422/4885

“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.