SCHEMBL227527

SCHEMBL227527

Cc1ccccc1OC(C)Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.45
TSHR P16473 6/20 0.42
SLC6A2 P23975 5/20 0.42
CYP1A2 P05177 4/20 0.42
SLC6A4 P31645 4/20 0.42
SLC6A3 Q01959 4/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2D6 P10635 3/20 0.42
CHRM1 P11229 2/20 0.42
ADRA2B P18089 2/20 0.42
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
HRH1 P35367 2/20 0.42
OPRM1 P35372 2/20 0.42
DRD3 P35462 2/20 0.42
OPRK1 P41145 2/20 0.42
HTR2B P41595 2/20 0.42
KCNH2 Q12809 2/20 0.42
KLF10 Q13118 2/20 0.42
HRH3 Q9Y5N1 2/20 0.42

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
SCHEMBL17911629 0.85 KMT2A (0.42) NISCHTSHRADRA2BKMT2ATP53
SCHEMBL1592873 0.81 NISCH (0.47) NISCHTSHRSLC6A2CYP1A2SLC6A4
SCHEMBL104727 0.81 IRAK4 (0.48) NISCHTSHRSLC6A2CYP1A2SLC6A4
SCHEMBL31490450 0.81 IRAK4 (0.48) NISCHTSHRSLC6A2CYP1A2SLC6A4
Ammonia Solution, Strong SCHEMBL5891986 0.79 IRAK4 (0.47) NISCHTSHRSLC6A2CYP1A2SLC6A4
SCHEMBL28883167 0.79 IRAK4 (0.47) NISCHTSHRSLC6A2CYP1A2SLC6A4
Hydrochloric Acid SCHEMBL4624005 0.79 IRAK4 (0.47) NISCHTSHRSLC6A2CYP1A2SLC6A4
SCHEMBL28911420 0.78 TSHR (0.46) NISCHTSHRSLC6A2CYP1A2SLC6A4
SCHEMBL11020631 0.77 NISCH (0.45) NISCHTSHRSLC6A2CYP1A2SLC6A4
SCHEMBL20282734 0.77 NISCH (0.45) NISCHTSHRSLC6A2CYP1A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590929-A1 ARYLOXY-ALKYLENE SUBSTITUTED HYDROXYPHENYL HEXYNOIC ACIDS, METHODS FOR THE PRODUCTION THEREOF AND USE OF THE SAME AS MEDICAMENT SANOFI (FR) 2013-05-15 EP disclosed
WO-2012010413-A1 ARYLOXY-ALKYLENE SUBSTITUTED HYDROXYPHENYL HEXYNOIC ACIDS, METHODS FOR THE PRODUCTION THEREOF AND USE OF THE SAME AS MEDICAMENT SANOFI (FR) 2012-01-26 WO disclosed
US-20120004166-A1 ARYLOXYALKYLENE-SUBSTITUTED HYDROXYPHENYLHEXYNOIC ACIDS, PROCESS FOR PREPARATION THEREOF AND USE THEREOF AS A MEDICAMENT SANOFI (FR) 2012-01-05 US disclosed
CN-101230049-A Hydroxamic acid histone deacetylase inhibitor as well as preparation method and use thereof UNIV CHINA PHARMA (CN) 2008-07-30 CN disclosed
EP-1723129-A1 1-AKAN-2-OL SUBSTITUTED PIPERAZINE AND PIPERIDINE COMPOUNDS CV THERAPEUTICS, INC. (US) 2006-11-22 EP disclosed
WO-2005061470-A1 1-AKAN-2-OL SUBSTITUTED PIPERAZINE AND PIPERIDINE COMPOUNDS CV THERAPEUTICS, INC. (US) 2005-07-07 WO disclosed
CN-1140498-C Novel antiarrhythmic compounds ҩ���о�Ժ������ҵ 2004-03-03 CN disclosed
CN-1284941-A Novel antiarrhythmic compounds PHARMACEUTICAL RES INST PUBLIC (HU) 2001-02-21 CN disclosed
US-4027028-A HYPOTENSIVE AGENTS SCIENCE UNION ET CIE (FR) 1977-05-31 US 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-20120004166-A1 ARYLOXYALKYLENE-SUBSTITUTED HYDROXYPHENYLHEXYNOIC ACIDS, PROCESS FOR PREPARATION THEREOF AND USE THEREOF AS A MEDICAMENT HCAR1, HCAR3, CYP2C9 NISCH 732/4885TSHR 453/4885SLC6A2 2435/4885

“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.