SCHEMBL4500586

SCHEMBL4500586

O=C(O)COc1ccc(C(=O)OCc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.67
SLC6A2 P23975 1/20 0.67
SLC6A3 Q01959 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
LMNA P02545 1/20 0.66
ALOX15 P16050 1/20 0.58
ALDH1A1 P00352 2/20 0.57
MAPT P10636 2/20 0.57
PLA2G4B P0C869 1/20 0.57
HPGD P15428 1/20 0.57
NR4A1 P22736 1/20 0.57
NR4A2 P43354 1/20 0.57
NR4A3 Q92570 1/20 0.57
MAOB P27338 1/20 0.54
PARP10 Q53GL7 1/20 0.54
MEN1 O00255 2/20 0.53
FFAR1 O14842 1/20 0.53
SRD5A2 P31213 1/20 0.53
PPARG P37231 1/20 0.52
PPARD Q03181 1/20 0.52

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
SCHEMBL50807 0.89 KMT2A (0.73) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL9787056 0.88 KMT2A (0.68) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL9574756 0.87 KMT2A (0.71) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL51012 0.87 KMT2A (0.71) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL20758809 0.86 KMT2A (0.60) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL21546008 0.85 KMT2A (0.59) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL2830303 0.85 KMT2A (0.59) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL312287 0.85 KMT2A (0.92) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL20830918 0.84 KMT2A (0.67) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL5836718 0.84 SLC6A2 (0.67) KMT2ASLC6A2SLC6A3TDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220125959-A1 PROSTATE-SPECIFIC MEMBRANE ANTIGEN (PSMA) INHIBITORS AS DIAGNOSTIC AND RADIONUCLIDE THERAPEUTIC AGENTS FIVE ELEVEN PHARMA INC (US) 2022-04-28 US disclosed
WO-2020220023-A1 PROSTATE-SPECIFIC MEMBRANE ANTIGEN (PSMA) INHIBITORS AS DIAGNOSTIC AND RADIONUCLIDE THERAPEUTIC AGENTS FIVE ELEVEN PHARMA INC. (US) 2020-10-29 WO disclosed
US-9120819-B2 FGF-receptor agonist dimeric compounds SANOFI (FR) 2015-09-01 US disclosed
US-20090069368-A1 FGF-RECEPTOR AGONIST DIMERIC COMPOUNDS SANOFI-AVENTIS (FR) 2009-03-12 US 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-6583177-B2 Amidinophenol derivatives as leukotriene B4 (LTB4)antagonists, phospholipase A2 inhibitors, and trypsin inhibitors. ONO PHARMACEUTICAL CO., LTD. (JP) 2003-06-24 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
US-20020128315-A1 Leukotriene B4 antagonist compounds and method for treatment NAKAI HISAO (JP) 2002-09-12 US disclosed
WO-2001060813-A1 BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 WO disclosed
US-6262114-B1 NOVEL AMIDINOPHENOL DERIVATIVES; INHIBITORS OF PHOSPHOLIPASE A2 AND/OR TRYPSIN ONO PHARMACEUTICAL CO., LTD. (JP) 2001-07-17 US disclosed
US-6107284-A Water-soluble derivatives of epipodophyllotoxin, process for their preparation, their use as medicinal products and their intended use in anti-cancer treatments PIERRE FABRE MEDICAMENT (FR) 2000-08-22 US disclosed
EP-0703216-B1 Amidinophenol derivatives as protease inhibitors ONO PHARMACEUTICAL CO (JP) 1999-04-07 EP disclosed
EP-0703216-A1 Amidinophenol derivatives as protease inhibitors ONO PHARMACEUTICAL CO., LTD. (JP) 1996-03-27 EP 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 (4 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-20090069368-A1 FGF-RECEPTOR AGONIST DIMERIC COMPOUNDS FGF2, FGFR1, FGF1 KMT2A 3395/4885SLC6A2 2853/4885SLC6A3 2661/4885
US-20030018193-A1 Beta-alanine derivatives and their use as receptor anatgonists ARRB1, ADRB1, GLRB KMT2A 2770/4885SLC6A2 125/4885SLC6A3 479/4885
US-20220125959-A1 PROSTATE-SPECIFIC MEMBRANE ANTIGEN (PSMA) INHIBITORS AS DIAGNOSTIC AND RADIONUCLIDE THERAPEUTIC AGENTS KLK3, FOLH1, PSMA1 KMT2A 2304/4885SLC6A2 736/4885SLC6A3 739/4885
US-20020128315-A1 Leukotriene B4 antagonist compounds and method for treatment LTB4R2, LTB4R, LTA4H KMT2A 3478/4885SLC6A2 4209/4885SLC6A3 4658/4885

“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.