SCHEMBL4430138

SCHEMBL4430138

COc1ccccc1OC(C)Br

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.59
CA2 P00918 3/20 0.59
CA7 P43166 2/20 0.59
CA9 Q16790 2/20 0.59
CA12 O43570 1/20 0.59
CA4 P22748 1/20 0.59
CA14 Q9ULX7 1/20 0.59
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
ADRA2B P18089 2/20 0.45
ADRA2A P08913 1/20 0.45
ADRA2C P18825 1/20 0.45
ORAI1 Q96D31 1/20 0.43
ORAI2 Q96SN7 1/20 0.43
ORAI3 Q9BRQ5 1/20 0.43

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 0.91 KMT2A (0.42) CA1CA2CA7CA9CA12
SCHEMBL8609919 0.82 KMT2A (0.60) CA1CA2CA7CA9CA12
SCHEMBL1592406 0.81 CA1 (0.65) CA1CA2CA7CA9CA12
SCHEMBL31433095 0.81 CA1 (0.65) CA1CA2CA7CA9CA12
SCHEMBL105697 0.81 CA1 (0.65) CA1CA2CA7CA9CA12
SCHEMBL11749913 0.80 SMN1; SMN2 (0.47) CA1CA2CA7CA9CA12
1,2-Dimethoxybenzene SCHEMBL28805731 0.78 CA1 (0.77) CA1CA2CA7CA9CA12
SCHEMBL227527 0.77 NISCH (0.45) KMT2AMAPK1L3MBTL1ADRA2BTSHR
SCHEMBL24926175 0.77 CA1 (0.59) CA1CA2CA7CA9CA12
SCHEMBL8747982 0.77 CA1 (0.59) CA1CA2CA7CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009116069-A2 PROCESS FOR PREPARATION OF 1-(9H-CARBAZOL-4-YLOXY)-3-[[2-(2- METHOXYPHENOXY) ETHYL] AMINO]-2-PROPANOL IPCA LABORATORIES LIMITED (IN) 2009-09-24 WO claimed
US-20100197813-A1 Heterocyclic Compounds as Sweetener Enhancers REDPOINT BIO CORPORATION (US) 2010-08-05 US disclosed
US-7674831-B2 Heterocyclic compounds as sweetener enhancers REDPOINT BIO CORPORATION (US) 2010-03-09 US disclosed
WO-2009128088-A2 PREPARATION OF 2-(2-ALKOXY PHENOXY) ETHYLAMINE, AN INTERMEDIATE OF CARVEDILOL AND TAMSULOSIN SHODHANA LABORATORIES LIMITED (IN) 2009-10-22 WO disclosed
US-20080249189-A1 HETEROCYCLIC COMPOUNDS AS SWEETENER ENHANCERS REDPOINT BIO CORPORATION 2008-10-09 US disclosed
EP-1506156-A1 METHOD FOR PREPARING 2-ALKOXYPHENOXYETHANAMINES FROM 2-ALKOXYPHENOXYETHYLACETAMIDES MCM PHARMA GMBH (DE) 2005-02-16 EP disclosed
WO-2003095416-A1 METHOD FOR PREPARING 2-ALKOXYPHENOXYETHANAMINES FROM 2-ALKOXYPHENOXYETHYLACETAMIDES MCM PHARMA GMBH (DE) 2003-11-20 WO 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 (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-20080249189-A1 HETEROCYCLIC COMPOUNDS AS SWEETENER ENHANCERS TAS2R1, TAS1R1, TAS2R40 CA1 1521/4885CA2 1398/4885CA7 845/4885
US-20100197813-A1 Heterocyclic Compounds as Sweetener Enhancers TAS2R1, TAS1R1, TAS2R40 CA1 1521/4885CA2 1398/4885CA7 845/4885

“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.