SCHEMBL6539253

SCHEMBL6539253

CC(C)CCOc1ccc(C(=O)OCc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.62
KMT2A Q03164 2/20 0.58
SLC6A2 P23975 1/20 0.58
SLC6A3 Q01959 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
LMNA P02545 2/20 0.57
MAPT P10636 4/20 0.55
ALDH1A1 P00352 3/20 0.55
HPGD P15428 1/20 0.55
RAB9A P51151 3/20 0.51
MAOB P27338 1/20 0.51
ADRB2 P07550 1/20 0.51
ADRB1 P08588 1/20 0.51
ADRB3 P13945 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
GAA P10253 1/20 0.50
NR4A1 P22736 1/20 0.50
NR4A2 P43354 1/20 0.50
NR4A3 Q92570 1/20 0.50
NR1H4 Q96RI1 1/20 0.49

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
SCHEMBL51012 0.87 KMT2A (0.71) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL20830746 0.86 KMT2A (0.61) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL13481158 0.85 KMT2A (0.63) MAPK1KMT2ASLC6A2SLC6A3TDP1
SCHEMBL20830910 0.85 TSHR (0.65) MAPK1KMT2ASLC6A2SLC6A3TDP1
SCHEMBL20830913 0.83 MAPT (0.61) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL8673498 0.83 KMT2A (0.65) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL6286657 0.83 KMT2A (0.65) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL419486 0.83 KMT2A (0.47) MAPK1KMT2ASLC6A2SLC6A3TDP1
SCHEMBL50807 0.82 KMT2A (0.73) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL20830500 0.82 TSHR (0.62) MAPK1KMT2ASLC6A2SLC6A3TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230011968-A1 TRIAZINE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2023-01-12 US disclosed
EP-3456713-A1 PROCESS FOR THE PREPARATION OF TRIAZINE DERIVATIVES Japan Tobacco Inc. (JP) 2019-03-20 EP disclosed
US-6812235-B2 2-ACYLAMINO- BETA -ALANINE DERIVATIVES AND A PHARMACEUTICALLY ACCEPTABLE SALT, USEFUL AS FIBRINOGEN RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-02 US disclosed
US-20030018193-A1 Beta-alanine derivatives and their use as receptor anatgonists ASTELLAS PHARMA INC. (JP) 2003-01-23 US disclosed
EP-1255748-A1 BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-13 EP disclosed
WO-2001060813-A1 BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 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-20030018193-A1 Beta-alanine derivatives and their use as receptor anatgonists ARRB1, ADRB1, GLRB MAPK1 1483/4885KMT2A 2770/4885SLC6A2 125/4885
US-20230011968-A1 TRIAZINE COMPOUNDS AND PHARMACEUTICAL USE THEREOF PTGIS, PTGS1, PTGES MAPK1 184/4885KMT2A 3785/4885SLC6A2 2018/4885

“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.