SCHEMBL7548044

SCHEMBL7548044

C=Cc1cccc(-c2ccccc2)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
CYP2A6 P11509 1/20 0.45
GRIN2D O15399 2/20 0.36
GRIN3B O60391 2/20 0.36
GRIN1 Q05586 2/20 0.36
GRIN2A Q12879 2/20 0.36
GRIN2B Q13224 2/20 0.36
GRIN2C Q14957 2/20 0.36
GRIN3A Q8TCU5 2/20 0.36
HSD17B10 Q99714 2/20 0.35
HPGD P15428 1/20 0.35
BCL2L1 Q07817 1/20 0.35
MAPK1 P28482 1/20 0.35
NR1H2 P55055 1/20 0.35
TSHR P16473 1/20 0.34
METAP2 P50579 1/20 0.34
ENPP1 P22413 1/20 0.33
HTR7 P34969 1/20 0.33
ATR Q13535 1/20 0.33
CYP1A2 P05177 1/20 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
SCHEMBL76904 0.81 ALDH1A1 (0.46) ALDH1A1CYP2A6GRIN2DGRIN3BGRIN1
SCHEMBL29418124 0.81 ALDH1A1 (0.46) ALDH1A1CYP2A6GRIN2DGRIN3BGRIN1
SCHEMBL4033813 0.80 KMT2A (0.46) ALDH1A1CYP2A6GRIN2DGRIN3BGRIN1
SCHEMBL30485479 0.79 ALDH1A1 (0.44) ALDH1A1CYP2A6GRIN2DGRIN3BGRIN1
Biphenyl SCHEMBL28948287 0.79 ALDH1A1 (0.44) ALDH1A1CYP2A6GRIN2DGRIN3BGRIN1
SCHEMBL28372677 0.79 ALDH1A1 (0.44) ALDH1A1CYP2A6GRIN2DGRIN3BGRIN1
Water SCHEMBL8392319 0.79 ALDH1A1 (0.44) ALDH1A1CYP2A6GRIN2DGRIN3BGRIN1
Water SCHEMBL8470277 0.79 ALDH1A1 (0.44) ALDH1A1CYP2A6GRIN2DGRIN3BGRIN1
Hydrogen Sulfide SCHEMBL27523825 0.79 ALDH1A1 (0.44) ALDH1A1CYP2A6GRIN2DGRIN3BGRIN1
SCHEMBL26556671 0.78 CYP2A6 (0.62) ALDH1A1CYP2A6HSD17B10HPGDBCL2L1

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-6080819-A Blends of olefin polymers and syndiotactic vinyl polymers BOREALIS AG (AT) 2000-06-27 US claimed
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-1211284-A1 Semi-finished products or moulded materials of improved toughness made from propylene polymers Borealis GmbH (AT) 2002-06-05 EP disclosed
US-6080819-A Blends of olefin polymers and syndiotactic vinyl polymers BOREALIS AG (AT) 2000-06-27 US disclosed
EP-0884356-A2 Blends of polyolefins and syndiotactic vinyl polymeres PCD Polymere AG (AT) 1998-12-16 EP 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 ALDH1A1 243/4885CYP2A6 1115/4885GRIN2D 4516/4885

“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.