SCHEMBL2780802

SCHEMBL2780802

O=C(O)COc1ccc(-c2ccc(OCC(=O)O)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.71
ALDH1A1 P00352 3/20 0.64
SMN1; SMN2 Q16637 2/20 0.62
FFAR1 O14842 1/20 0.62
PPARD Q03181 2/20 0.61
PPARG P37231 1/20 0.61
PTPN7 P35236 2/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
MAPT P10636 2/20 0.60
PTPN12 Q05209 1/20 0.60
TSHR P16473 1/20 0.56
NR4A1 P22736 1/20 0.56
APEX1 P27695 1/20 0.56
PPARA Q07869 1/20 0.55
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
MAP4K4 O95819 1/20 0.53

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
SCHEMBL422442 0.94 ALOX15 (0.76) ALOX15ALDH1A1SMN1; SMN2FFAR1PPARD
SCHEMBL339492 0.93 ALOX15 (0.81) ALOX15ALDH1A1SMN1; SMN2FFAR1PPARD
SCHEMBL4820127 0.92 ALOX15 (0.61) ALOX15ALDH1A1SMN1; SMN2FFAR1PPARD
SCHEMBL4011865 0.90 MAP4K4 (0.65) ALOX15ALDH1A1SMN1; SMN2FFAR1PPARD
SCHEMBL421532 0.90 L3MBTL1 (0.59) ALOX15ALDH1A1SMN1; SMN2FFAR1MAPT
SCHEMBL12646485 0.88 ALOX15 (0.57) ALOX15ALDH1A1SMN1; SMN2FFAR1PPARD
SCHEMBL23512464 0.87 ALOX15 (0.55) ALOX15ALDH1A1SMN1; SMN2FFAR1PPARD
SCHEMBL13616217 0.87 PPARD (0.67) ALOX15ALDH1A1SMN1; SMN2FFAR1PPARD
SCHEMBL4284626 0.87 MMP2 (0.71) ALOX15FFAR1MAPT
SCHEMBL11552274 0.86 ALOX15 (0.71) ALOX15ALDH1A1SMN1; SMN2FFAR1PPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3187532-A1 RUBBER COMPOSITION AND PNEUMATIC TIRE Sumitomo Rubber Industries, Ltd. (JP) 2017-07-05 EP disclosed
US-9409951-B2 Integrin targeted synthetic ligands for diagnostic and therapeutic applications BRACCO IMAGING S.P.A. (IT) 2016-08-09 US disclosed
EP-1853605-B1 INTEGRIN TARGETED SYNTHETIC LIGANDS FOR DIAGNOSTIC AND THERAPEUTIC APPLICATIONS BRACCO IMAGING SPA (IT) 2014-09-10 EP disclosed
US-20140178302-A1 INTEGRIN TARGETED SYNTHETIC LIGANDS FOR DIAGNOSTIC AND THERAPEUTIC APPLICATIONS BRACCO IMAGING S.P.A. (IT) 2014-06-26 US disclosed
US-8636977-B2 Integrin targeted synthetic ligands for diagnostic and therapeutic applications BRACCO IMAGING S.P.A. (IT) 2014-01-28 US disclosed
US-7666979-B2 polyvalent targeting ligands that bind to cells used for diagnosis of diseases sensitivity to angiogenesis factor BRACCO INTERNATIONAL B.V. (NL) 2010-02-23 US disclosed
US-20080317668-A1 Integrin Targeted Synthetic Ligands for Diagnostic and Therapeutic Applications BRACCO IMAGING S.P.A. (IT) 2008-12-25 US disclosed
EP-1853605-A2 INTEGRIN TARGETED SYNTHETIC LIGANDS FOR DIAGNOSTIC AND THERAPEUTIC APPLICATIONS Bracco Imaging, S.P.A. (IT) 2007-11-14 EP disclosed
WO-2006095234-A2 INTEGRIN TARGETED SYNTHETIC LIGANDS FOR DIAGNOSTIC AND THERAPEUTIC APPLICATIONS BRACCO IMAGING S.P.A. (IT) 2006-09-14 WO disclosed
US-20050147555-A1 Methods for preparing multivalent constructs for therapeutic and diagnostic applications and methods of preparing the same BRACCO SUISSE SA (CH) 2005-07-07 US 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 (3 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-20050147555-A1 Methods for preparing multivalent constructs for therapeutic and diagnostic applications and methods of preparing the same LDHB, FPGS, MTHFD2 ALOX15 1946/4885ALDH1A1 1199/4885SMN1; SMN2 2575/4885
US-20140178302-A1 INTEGRIN TARGETED SYNTHETIC LIGANDS FOR DIAGNOSTIC AND THERAPEUTIC APPLICATIONS ITGA2B, ITGB2, ITGB1 ALOX15 4513/4885ALDH1A1 3450/4885SMN1; SMN2 3277/4885
US-20080317668-A1 Integrin Targeted Synthetic Ligands for Diagnostic and Therapeutic Applications ITGA2B, ITGB2, ITGB1 ALOX15 4513/4885ALDH1A1 3450/4885SMN1; SMN2 3277/4885

“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.