SCHEMBL219773

SCHEMBL219773

O=C(O)Cc1ccc(CBr)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.62
CAMK2A Q9UQM7 1/20 0.62
AKR1B1 P15121 1/20 0.61
TSHR P16473 3/20 0.58
LMNA P02545 2/20 0.58
GAA P10253 2/20 0.58
ABCC4 O15439 1/20 0.58
PTGS1 P23219 1/20 0.58
HTT P42858 1/20 0.58
CES2 O00748 1/20 0.54
CES1 P23141 1/20 0.54
ALDH1A1 P00352 4/20 0.52
HPGD P15428 3/20 0.52
HSD17B10 Q99714 3/20 0.52
FFAR1 O14842 1/20 0.52
POLB P06746 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 2/20 0.50
MAPT P10636 2/20 0.50

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
SCHEMBL69614 0.87 CA2 (0.79) CA2CAMK2AAKR1B1TSHRLMNA
Hydrochloric Acid SCHEMBL25180348 0.84 CA2 (0.75) CA2CAMK2AAKR1B1TSHRLMNA
Hydrochloric Acid SCHEMBL6765874 0.84 CA2 (0.75) CA2CAMK2AAKR1B1TSHRLMNA
SCHEMBL6502081 0.81 ALDH1A1 (0.59) CA2CAMK2AAKR1B1TSHRLMNA
SCHEMBL6596642 0.80 CES2 (0.48) CA2CAMK2AAKR1B1TSHRLMNA
SCHEMBL29257 0.80 MEN1 (0.71) CA2CAMK2AAKR1B1TSHRLMNA
SCHEMBL68027 0.79 LMNA (0.86) CA2CAMK2AAKR1B1TSHRLMNA
SCHEMBL2996429 0.79 CA2 (0.68) CA2CAMK2AAKR1B1TSHRLMNA
SCHEMBL18427891 0.79 LMNA (0.86) CA2CAMK2AAKR1B1TSHRLMNA
SCHEMBL3787817 0.78 MEN1 (0.69) CA2CAMK2AAKR1B1TSHRLMNA

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 1114 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115536517-B Preparation method of 4-hydroxymethylphenylacetic acid 苏州昊帆生物股份有限公司 2024-08-02 CN claimed
CN-118065175-A Method for constructing paper superhydrophobic surface by using hemicellulose as nanoparticle adsorbent 华南理工大学 2024-05-24 CN claimed
CN-115536517-A Preparation method of 4-hydroxymethyl phenylacetic acid 苏州昊帆生物股份有限公司 2022-12-30 CN claimed
CN-111517997-B Ethyl sulfate artificial antigen, preparation method and application 杭州博拓生物科技股份有限公司 2022-06-07 CN claimed
CN-108478817-B Atherosclerosis detection reagent and preparation method thereof 北京大学 2020-10-27 CN claimed
CN-111517997-A Ethyl sulfate artificial antigen, preparation method and application 杭州博拓生物科技股份有限公司 2020-08-11 CN claimed
CN-105153145-B Aryl piperazine derivative II and its salt, preparation method and purposes 广州市广金投资管理有限公司 2018-10-30 CN claimed
CN-105130921-B Aryl piperazine derivative I and its salt, preparation method and purposes 广州市广金投资管理有限公司 2018-04-06 CN claimed
CN-105503747-B A kind of quinazoline derivant LU1507 and its preparation method and application 中国人民解放军南京军区南京总医院 2017-12-19 CN claimed
US-7732625-B2 Colorant compounds XEROX CORPORATION (US) 2010-06-08 US claimed
US-20060021546-A1 Processes for preparing phase change inks XEROX CORPORATION 2006-02-02 US claimed
US-20060020141-A1 Metallized dye XEROX CORPORATION 2006-01-26 US claimed
US-20060016369-A1 PHASE CHANGE INKS XEROX CORPORATION 2006-01-26 US claimed
US-6946025-B2 Process for preparing tetra-amide compounds XEROX CORPORATION (US) 2005-09-20 US claimed
US-20050090690-A1 Process for preparing tetra-amide compounds XEROX CORPORATION 2005-04-28 US claimed
WO-2003011917-A1 METHOD OF CURING ELASTOMERS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2003-02-13 WO claimed
EP-1124417-A2 COMPOSITIONS COMPRISING PLANT CELL GROWTH REGULATING COMPOUNDS AND METHODS OF USE THEREOF INVITROGEN CORPORATION (US) 2001-08-22 EP claimed
WO-2000024249-A2 COMPOSITIONS COMPRISING PLANT CELL GROWTH REGULATING COMPOUNDS AND METHODS OF USE THEREOF INVITROGEN CORPORATION (US) 2000-05-04 WO claimed
EP-0433345-A1 PEPTIDE SYNTHESIS METHOD AND SOLID SUPPORT FOR USE IN THE METHOD. RISOE FORSKNINGSCENTER (DK) 1991-06-26 EP claimed
WO-1990002749-A1 PEPTIDE SYNTHESIS METHOD AND SOLID SUPPORT FOR USE IN THE METHOD Forskningscenter Risø (DK) 1990-03-22 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20060020141-A1 Metallized dye CDYL, CDY1; CDY1B, CDYL2 CA2 32/4885CAMK2A 1756/4885AKR1B1 1963/4885
US-20050090690-A1 Process for preparing tetra-amide compounds TAF9, TAF5, TAF1 CA2 664/4885CAMK2A 2997/4885AKR1B1 2784/4885

“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.