SCHEMBL7401587

SCHEMBL7401587

CC(C)Oc1ccc(C(=O)OCc2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.65
TDP1 Q9NUW8 3/20 0.65
SLC6A2 P23975 1/20 0.65
SLC6A3 Q01959 1/20 0.65
LMNA P02545 4/20 0.64
ALDH1A1 P00352 4/20 0.60
MAPT P10636 4/20 0.60
HPGD P15428 1/20 0.60
RAB9A P51151 3/20 0.55
GAA P10253 1/20 0.55
NPC1 O15118 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MEN1 O00255 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
CNR2 P34972 1/20 0.51
PARP10 Q53GL7 1/20 0.50
ADRB2 P07550 1/20 0.49
ADRB1 P08588 1/20 0.49
ADRB3 P13945 1/20 0.49
MAOB P27338 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
SCHEMBL6286653 0.90 KMT2A (0.63) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL10148422 0.87 KMT2A (0.59) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL10148420 0.87 KMT2A (0.59) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL29179301 0.85 KMT2A (0.61) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL12391751 0.85 LMNA (0.74) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL13845264 0.85 KMT2A (0.56) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL12393817 0.84 KMT2A (0.63) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL312287 0.83 KMT2A (0.92) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL2704247 0.83 KMT2A (0.71) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL20830746 0.82 KMT2A (0.61) KMT2ATDP1SLC6A2SLC6A3LMNA

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
US-20230011968-A1 TRIAZINE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2023-01-12 US disclosed
EP-3995611-A1 HIGH THROUGHPUT METHOD FOR CONSTRUCTING AND SCREENING COMPOUND LIBRARY AND REACTION DEVICE Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2022-05-11 EP disclosed
EP-3798214-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2021-03-31 EP disclosed
EP-3456713-A1 PROCESS FOR THE PREPARATION OF TRIAZINE DERIVATIVES Japan Tobacco Inc. (JP) 2019-03-20 EP disclosed
CN-1423647-A Beta-alanine derivatives and their use as receptor antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2003-06-11 CN 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 (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-20230011968-A1 TRIAZINE COMPOUNDS AND PHARMACEUTICAL USE THEREOF PTGIS, PTGS1, PTGES KMT2A 3785/4885TDP1 493/4885SLC6A2 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.