SCHEMBL4411484

SCHEMBL4411484

Cc1cccc(C)c1NC(C)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.43
ATM Q13315 2/20 0.42
HSP90AA1 P07900 1/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
NFKB1 P19838 1/20 0.41
CYP2C19 P33261 1/20 0.41
PYGL P06737 1/20 0.40
NLRP3 Q96P20 1/20 0.40
PTGS2 P35354 1/20 0.40
ANPEP P15144 1/20 0.40
LMNA P02545 1/20 0.40
P2RX7 Q99572 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39

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
SCHEMBL6264012 1.00 POLB (0.43) POLBATMHSP90AA1MAPK1ALDH1A1
SCHEMBL1900149 1.00 POLB (0.43) POLBATMHSP90AA1MAPK1ALDH1A1
SCHEMBL4411485 1.00 POLB (0.43) POLBATMHSP90AA1MAPK1ALDH1A1
Hydrochloric Acid SCHEMBL14988824 0.98 POLB (0.42) POLBATMHSP90AA1MAPK1ALDH1A1
SCHEMBL9777508 0.86 POLB (0.52) POLBMAPK1ALDH1A1KMT2AMEN1
SCHEMBL9777510 0.86 POLB (0.52) POLBMAPK1ALDH1A1KMT2AMEN1
SCHEMBL11245214 0.84 ATM (0.42) POLBATMHSP90AA1MAPK1ALDH1A1
SCHEMBL14809396 0.82 DRD2 (0.45) POLBATMHSP90AA1MAPK1ALDH1A1
SCHEMBL11200131 0.81 LMNA (0.42) POLBATMHSP90AA1ALDH1A1L3MBTL1
SCHEMBL11057770 0.81 LMNA (0.42) POLBATMHSP90AA1ALDH1A1L3MBTL1

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 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118086121-A Burkholderia and application thereof in catalytic chiral resolution 浙江工业大学 2024-05-28 CN claimed
CN-115976127-A Application of Bacillus aryabhattai in preparation of (R) -DMPM 浙江工业大学 2023-04-18 CN claimed
CN-113667704-A Method for preparing (R) -N- (2, 6-dimethylphenyl) methyl aminopropionate by two-step enzyme method 浙江工业大学 2021-11-19 CN claimed
CN-105779409-B A kind of stereoselectivity esterase, encoding gene, carrier, engineering bacteria and its application 浙江工业大学 2019-11-29 CN claimed
CN-105112385-B A kind of Recombinant esterase, encoding gene, carrier, engineering bacteria and application 浙江工业大学 2018-11-13 CN claimed
CN-104531565-B Denitrification achromobacter zjut1104 and its application 浙江工业大学 2017-09-26 CN claimed
CN-104745509-B Sugar vacation anthropi WZZ003 and its application are not understood 浙江工业大学 2017-08-25 CN claimed
CN-104745509-A Pseudochrobactrum asaccharolyticum WZZ003 and application thereof UNIV ZHEJIANG TECHNOLOGY 2015-07-01 CN claimed
CN-104531565-A Achromobacter denitrificans zjut1104 and application thereof UNIV ZHEJIANG TECHNOLOGY 2015-04-22 CN claimed
EP-2036918-A1 PEPTIDE DERIVATIVE Vexon, Inc. (JP) 2009-03-18 EP claimed
US-20080009448-A1 Peptide Derivative VEXON, INC. (50%) (JP) 2008-01-10 US claimed
EP-1587943-A1 METHOD FOR PREPARING A (R)- OR (S)- FORM OF N-(2,6-DIMETHYL PHENYL) ALANINE AND A COUNTER ENANTIOMERIC FORM OF N-(2,6-DIMETHYL PHENYL) ALANINE ESTER THERETO USING ENZYME LG Life Sciences Ltd. (KR) 2005-10-26 EP claimed
WO-2004055195-A1 METHOD FOR PREPARING A (R)- OR (S)- FORM OF N-(2,6-DIMETHYL PHENYL) ALANINE AND A COUNTER ENANTIOMERIC FORM OF N-(2,6-DIMETHYL PHENYL) ALANINE ESTER THERETO USING ENZYME LG LIFE SCIENCES LTD. (KR) 2004-07-01 WO claimed
CN-118086121-A Burkholderia and application thereof in catalytic chiral resolution 浙江工业大学 2024-05-28 CN disclosed
WO-2023222752-A1 METHOD OF TREATMENT OF BUD ROT DISEASE IN PALM TREES YARA INTERNATIONAL ASA (NO) 2023-11-23 WO disclosed
CN-115976127-A Application of Bacillus aryabhattai in preparation of (R) -DMPM 浙江工业大学 2023-04-18 CN disclosed
EP-0034205-A1 Fungicidal sulphonyl or sulphinyl acetanilides, process for their preparation and pesticidal compositions containing them HOECHST AKTIENGESELLSCHAFT (DE) 1981-08-26 EP disclosed
US-4284791-A Combating fungi with N-chloroacetyl-N-(2,6-di-substituted phenyl)-alanine esters BAYER AKTIENGESELLSCHAFT (DE) 1981-08-18 US disclosed
EP-0023332-A2 Fungicidal thioglycolic acid anilides, process for their preparation and pesticides containing them HOECHST AKTIENGESELLSCHAFT (DE) 1981-02-04 EP disclosed
EP-0014167-A1 Aniline derivatives with antifungal activity and process for their preparation RHONE-POULENC AGROCHIMIE (FR) 1980-08-06 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-20080009448-A1 Peptide Derivative ARGLU1, NGLY1, NPR3 POLB 4758/4885ATM 3469/4885HSP90AA1 2211/4885

“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.