SCHEMBL4033813

SCHEMBL4033813

O=Cc1cccc(-c2ccccc2)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 2/20 0.46
THRB P10828 1/20 0.46
BLM P54132 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP2A6 P11509 1/20 0.45
XDH P47989 1/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
TRIM24 O15164 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
NR1H2 P55055 1/20 0.39
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.37
ERN1 O75460 2/20 0.36
CTRC Q99895 2/20 0.36
HNF4A P41235 1/20 0.36
GRIN2D O15399 1/20 0.36

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
SCHEMBL4931122 0.84 TDP1 (0.41) KMT2ALMNAMEN1THRBBLM
SCHEMBL96494 0.81 LMNA (0.57) KMT2ALMNAMEN1THRBBLM
Benzene SCHEMBL27923728 0.81 LMNA (0.57) KMT2ALMNAMEN1THRBBLM
SCHEMBL5711323 0.81 LMNA (0.57) KMT2ALMNAMEN1THRBBLM
SCHEMBL10533687 0.80 TDP1 (0.46) KMT2ALMNAMEN1THRBBLM
SCHEMBL7548044 0.80 ALDH1A1 (0.48) CYP2A6ALDH1A1TSHRNR1H2CTRC
Water SCHEMBL28190393 0.79 LMNA (0.55) KMT2ALMNAMEN1THRBBLM
SCHEMBL30721661 0.79 LMNA (0.55) KMT2ALMNAMEN1THRBBLM
SCHEMBL3794351 0.78 TDP1 (0.58) KMT2ALMNAMEN1THRBBLM
SCHEMBL26556671 0.78 CYP2A6 (0.62) TDP1CYP2A6ALDH1A1TSHRNR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230331675-A1 AROMATIC ETHYLENE COMPOUND AND PREPARATION METHOD THEREFOR, AND INTERMEDIATE, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD. (CN) 2023-10-19 US disclosed
US-20230331675-A1 AROMATIC ETHYLENE COMPOUND AND PREPARATION METHOD THEREFOR, AND INTERMEDIATE, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD. (CN) 2023-10-19 US disclosed
EP-4212511-A1 AROMATIC ETHYLENE COMPOUND AND PREPARATION METHOD THEREFOR, AND INTERMEDIATE, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF Guangzhou Maxinovel Pharmaceuticals Co., Ltd. (CN) 2023-07-19 EP disclosed
WO-2022052926-A1 AROMATIC ETHYLENE COMPOUND AND PREPARATION METHOD THEREFOR, AND INTERMEDIATE, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF 广州再极医药科技有限公司 2022-03-17 WO disclosed
EP-1501509-A4 ARYL-LINK-ARYL SUBSTITUTED THIAZOLIDINE-DIONE AND OXAZOLIDINE-DIONE AS SODIUM CHANNEL BLOCKERS MERCK & CO INC (US) 2009-07-15 EP disclosed
CN-101218223-A Benzodioxane and benzodioxolane derivatives and uses thereof WYETH CORP (US) 2008-07-09 CN disclosed
EP-1501509-A2 ARYL-LINK-ARYL SUBSTITUTED THIAZOLIDINE-DIONE AND OXAZOLIDINE-DIONE AS SODIUM CHANNEL BLOCKERS Merck & Co., Inc. (US) 2005-02-02 EP disclosed
WO-2004024061-A2 ARYL-LINK-ARYL SUBSTITUTED THIAZOLIDINE-DIONE AND OXAZOLIDINE-DIONE AS SODIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2004-03-25 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 (1 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-20230331675-A1 AROMATIC ETHYLENE COMPOUND AND PREPARATION METHOD THEREFOR, AND INTERMEDIATE, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF PDCD1, CD274, PDCD1LG2 KMT2A 2285/4885LMNA 1636/4885MEN1 949/4885

“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.