SCHEMBL11075751

SCHEMBL11075751

C=C(C(=O)OC)c1ccc(Cl)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
TSHR P16473 1/20 0.52
CASP1 P29466 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
POLB P06746 4/20 0.50
MAPT P10636 3/20 0.50
RAB9A P51151 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ATM Q13315 1/20 0.49
THRB P10828 1/20 0.47
RECQL P46063 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ABL1 P00519 1/20 0.47
MAPK1 P28482 1/20 0.47
HIF1A Q16665 1/20 0.47
CYP3A4 P08684 1/20 0.46
HPGD P15428 1/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46

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
SCHEMBL31626777 0.83 ALDH1A1 (0.49) ALDH1A1TSHRCASP1SMN1; SMN2KDM4E
SCHEMBL2704261 0.82 ALDH1A1 (0.58) ALDH1A1TSHRCASP1SMN1; SMN2POLB
SCHEMBL9667415 0.82 CYP3A4 (0.50) ALDH1A1TSHRCASP1SMN1; SMN2POLB
SCHEMBL25108258 0.81 ABL1 (0.42) ALDH1A1SMN1; SMN2MAPTRAB9AKDM4E
SCHEMBL25107416 0.80 LMNA (0.57) ALDH1A1TSHRPOLBMAPTL3MBTL1
SCHEMBL28002678 0.79 POLB (0.50) ALDH1A1TSHRPOLBMAPTHPGD
SCHEMBL22406930 0.79 MAPT (0.47) SMN1; SMN2MAPTRAB9AMAPK1MEN1
SCHEMBL608814 0.78 ABL1 (0.68) ALDH1A1TSHRCASP1SMN1; SMN2POLB
SCHEMBL481450 0.78 TSHR (0.64) ALDH1A1TSHRCASP1SMN1; SMN2POLB
SCHEMBL17466101 0.78 ATM (0.54) ALDH1A1TSHRCASP1SMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-219996583-U Sampling detection device in preparation process of 2- (2, 4-dichlorophenyl) methyl acrylate 安徽云帆药业有限公司 2023-11-10 CN claimed
CN-116969900-A Preparation process of 2- (2, 4-dichlorophenyl) -3- (1-H, 1,2, 4-triazolyl) propanol 安徽云帆药业有限公司 2023-10-31 CN claimed
CN-219996583-U Sampling detection device in preparation process of 2- (2, 4-dichlorophenyl) methyl acrylate 安徽云帆药业有限公司 2023-11-10 CN disclosed
CN-219996583-U Sampling detection device in preparation process of 2- (2, 4-dichlorophenyl) methyl acrylate 安徽云帆药业有限公司 2023-11-10 CN disclosed
CN-219996583-U Sampling detection device in preparation process of 2- (2, 4-dichlorophenyl) methyl acrylate 安徽云帆药业有限公司 2023-11-10 CN disclosed
CN-116969900-A Preparation process of 2- (2, 4-dichlorophenyl) -3- (1-H, 1,2, 4-triazolyl) propanol 安徽云帆药业有限公司 2023-10-31 CN disclosed
CN-116969900-A Preparation process of 2- (2, 4-dichlorophenyl) -3- (1-H, 1,2, 4-triazolyl) propanol 安徽云帆药业有限公司 2023-10-31 CN disclosed
EP-2734526-B1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2016-04-06 EP disclosed
US-9221832-B2 Heterocyclic amide derivatives as P2X7 receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2015-12-29 US disclosed
US-20140163035-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2014-06-12 US disclosed
EP-2734526-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2014-05-28 EP disclosed
WO-2013014587-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2013-01-31 WO disclosed
EP-0099165-A1 Triazole and imidazole compounds, process for their preparation and their use as fungicides and plant growth regulators, and intermediates for their synthesis IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-01-25 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-20140163035-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS P2RX7, P2RX3, P2RX1 ALDH1A1 2258/4885TSHR 332/4885CASP1 548/4885

“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.