SCHEMBL3861269

SCHEMBL3861269

O=C(CCl)NCC(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
MAPK1 P28482 1/20 0.54
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
MAPT P10636 2/20 0.52
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
GLA P06280 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ABCC3 O15438 1/20 0.49
NR1I2 O75469 1/20 0.49
ABCB11 O95342 1/20 0.49
NR3C1 P04150 1/20 0.49
RARG P13631 1/20 0.49
CNR1 P21554 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
SCHEMBL25681603 0.85 ALDH1A1 (0.56) ALDH1A1L3MBTL1MAPK1MEN1KMT2A
SCHEMBL13296294 0.84 KMT2A (0.56) ALDH1A1L3MBTL1MAPK1MEN1KMT2A
SCHEMBL5555546 0.84 ALDH1A1 (0.54) ALDH1A1L3MBTL1MAPK1MEN1KMT2A
SCHEMBL5538472 0.84 L3MBTL1 (0.54) ALDH1A1L3MBTL1MAPK1MEN1KMT2A
SCHEMBL23643788 0.83 ALDH1A1 (0.59) ALDH1A1L3MBTL1MAPK1MEN1KMT2A
SCHEMBL10068188 0.83 ALDH1A1 (0.61) ALDH1A1L3MBTL1MAPK1MEN1KMT2A
SCHEMBL18171769 0.83 PPID (0.64) ALDH1A1L3MBTL1MAPK1MEN1KMT2A
Hydrochloric Acid SCHEMBL715023 0.83 L3MBTL1 (0.53) ALDH1A1L3MBTL1MAPK1MEN1KMT2A
SCHEMBL9391884 0.83 MEN1 (0.55) ALDH1A1L3MBTL1MAPK1MEN1KMT2A
SCHEMBL4073528 0.83 TPSAB1 (0.53) ALDH1A1L3MBTL1MAPK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210214374-A1 COMPOUNDS AND COMPOSITIONS FOR OCULAR DELIVERY Graybug Vision, Inc. (US) 2021-07-15 US disclosed
US-20210040111-A1 DRUGS TO TREAT OCULAR DISORDERS Graybug Vision, Inc. (US) 2021-02-11 US disclosed
US-7582280-B2 Conjugates of antioxidants with metal chelating ligands for use in diagnostic and therapeutic applications BRACCO INTERNATIONAL B.V. (NL) 2009-09-01 US disclosed
US-7582280-B2 Conjugates of antioxidants with metal chelating ligands for use in diagnostic and therapeutic applications BRACCO INTERNATIONAL B.V. (NL) 2009-09-01 US disclosed
US-7582280-B2 Conjugates of antioxidants with metal chelating ligands for use in diagnostic and therapeutic applications BRACCO INTERNATIONAL B.V. (NL) 2009-09-01 US disclosed
US-20080274048-A1 CONJUGATES OF ANTIOXIDANTS WITH METAL CHELATING LIGANDS FOR USE IN DIAGNOSTIC AND THERAPEUTIC APPLICATIONS BRACCO INTERNATIONAL B.V. (NL) 2008-11-06 US disclosed
US-20080274048-A1 CONJUGATES OF ANTIOXIDANTS WITH METAL CHELATING LIGANDS FOR USE IN DIAGNOSTIC AND THERAPEUTIC APPLICATIONS BRACCO INTERNATIONAL B.V. (NL) 2008-11-06 US disclosed
US-20080274048-A1 CONJUGATES OF ANTIOXIDANTS WITH METAL CHELATING LIGANDS FOR USE IN DIAGNOSTIC AND THERAPEUTIC APPLICATIONS BRACCO INTERNATIONAL B.V. (NL) 2008-11-06 US disclosed
US-7407644-B2 Conjugates of antioxidants with metal chelating ligands for use in diagnostic and therapeutic applications BRACCO INTERNATIONAL B.V. (NL) 2008-08-05 US disclosed
US-7407644-B2 Conjugates of antioxidants with metal chelating ligands for use in diagnostic and therapeutic applications BRACCO INTERNATIONAL B.V. (NL) 2008-08-05 US disclosed
US-7407644-B2 Conjugates of antioxidants with metal chelating ligands for use in diagnostic and therapeutic applications BRACCO INTERNATIONAL B.V. (NL) 2008-08-05 US disclosed
US-20070086944-A1 CONJUGATES OF ANTIOXIDANTS WITH METAL CHELATING LIGANDS FOR USE IN DIAGNOSTIC AND THERAPEUTIC APPLICATIONS BRACCO INTERNATIONAL B.V. (NL) 2007-04-19 US disclosed
US-20070086944-A1 CONJUGATES OF ANTIOXIDANTS WITH METAL CHELATING LIGANDS FOR USE IN DIAGNOSTIC AND THERAPEUTIC APPLICATIONS BRACCO INTERNATIONAL B.V. (NL) 2007-04-19 US disclosed
US-7160535-B2 Conjugates of antioxidants with metal chelating ligands for use in diagnostic and therapeutic applications BRACCO INTERNATIONAL BV (NL) 2007-01-09 US disclosed
US-7160535-B2 Conjugates of antioxidants with metal chelating ligands for use in diagnostic and therapeutic applications BRACCO INTERNATIONAL BV (NL) 2007-01-09 US disclosed
US-20040082767-A1 Conjugates of antioxidants with metal chelating ligands for use in diagnostic and therapeutic allications BRACCO INTERNATIONAL B.V. (NL) 2004-04-29 US disclosed
EP-1406669-A2 CONJUGATES OF AN ANTIOXIDANTS WITH METAL CHELATING LIGANDS Bracco International B.V. (NL) 2004-04-14 EP disclosed
WO-2002040060-A2 CONJUGATES OF AN ANTIOXIDANTS WITH METAL CHELATING LIGANDS BRACCO INTERNATIONAL BV (NL) 2002-05-23 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 (5 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-20210040111-A1 DRUGS TO TREAT OCULAR DISORDERS PDE6C, AGER, PDE6A ALDH1A1 761/4885L3MBTL1 4382/4885MAPK1 1067/4885
US-20080274048-A1 CONJUGATES OF ANTIOXIDANTS WITH METAL CHELATING LIGANDS FOR USE IN DIAGNOSTIC AND THERAPEUTIC APPLICATIONS SOD3, CAT, SOD1 ALDH1A1 440/4885L3MBTL1 2084/4885MAPK1 4801/4885
US-20040082767-A1 Conjugates of antioxidants with metal chelating ligands for use in diagnostic and therapeutic allications SOD1, GPX1, GPX4 ALDH1A1 252/4885L3MBTL1 1722/4885MAPK1 4792/4885
US-20210214374-A1 COMPOUNDS AND COMPOSITIONS FOR OCULAR DELIVERY KDR, RB1, PDE6C ALDH1A1 2125/4885L3MBTL1 4766/4885MAPK1 785/4885
US-20070086944-A1 CONJUGATES OF ANTIOXIDANTS WITH METAL CHELATING LIGANDS FOR USE IN DIAGNOSTIC AND THERAPEUTIC APPLICATIONS SOD3, CAT, SOD1 ALDH1A1 440/4885L3MBTL1 2084/4885MAPK1 4801/4885

“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.