SCHEMBL212426

SCHEMBL212426

O=C(O)c1ccccc1OCCC(Oc1ccccc1C(=O)O)(C(=O)O)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.59
KMT2A Q03164 2/20 0.59
PTK2B Q14289 1/20 0.59
KDM4E B2RXH2 7/20 0.50
HTT P42858 2/20 0.50
NPC1 O15118 2/20 0.43
CYP2C9 P11712 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 5/20 0.42
HSD17B10 Q99714 5/20 0.42
ESR1 P03372 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
HMGB1 P09429 1/20 0.42
TSHR P16473 1/20 0.42
GGT1 P19440 1/20 0.42
PTGS1 P23219 1/20 0.42

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
SCHEMBL209445 0.90 ALDH1A1 (0.55) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL5517653 0.83 ALDH1A1 (0.65) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL30211332 0.80 ALDH1A1 (0.89) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL2049483 0.80 ALDH1A1 (0.89) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL5520993 0.80 ALDH1A1 (0.47) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL4420937 0.80 ALDH1A1 (0.65) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL6941434 0.79 KDM4E (0.54) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL212173 0.78 ALDH1A1 (0.79) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL5516789 0.78 ALDH1A1 (0.63) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL25788261 0.77 ALDH1A1 (0.61) ALDH1A1KMT2APTK2BKDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088405-B2 Therapeutic compositions and methods Rutgers, The State University of New Jersery (US) 2012-01-03 US disclosed
US-20110223232-A1 DRUG-RELEASE COMPOSITION HAVING A THERAPEUTIC CARRIER SILICON VALLEY BANK 2011-09-15 US disclosed
US-8017714-B2 Polyanhydrides with therapeutically useful degradation products RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-09-13 US disclosed
US-20100074937-A1 POLYANHYDRIDES WITH THERAPEUTICALLY USEFUL DEGRADATION PRODUCTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2010-03-25 US disclosed
EP-1261347-B1 THERAPEUTIC COMPOSITIONS AND METHODS FOR TREATING PERIODONTITIS WITH ANTIINFLAMATORY COMPOUNDS UNIV RUTGERS (US) 2009-09-30 EP disclosed
EP-2095817-A1 Therapeutic compositions and methods RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2009-09-02 EP disclosed
EP-1032605-B1 POLYANHYDRIDES WITH THERAPEUTICALLY USEFUL DEGRADATION PRODUCTS UNIV RUTGERS (US) 2007-11-14 EP disclosed
US-20070014832-A1 Therapeutic compositions and methods RUTGERS, THE STATE UNIVESITY OF NEW JERSEY 2007-01-18 US disclosed
US-7122615-B1 Polyanhydrides with therapeutically useful degradation products RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2006-10-17 US disclosed
EP-1246627-B1 POLYANHYDRIDES WITH BIOLOGICALLY ACTIVE DEGRADATION PRODUCTS UNIV RUTGERS (US) 2005-12-28 EP disclosed
EP-1464673-A2 Polyanhydrides with biologically active degradation products RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2004-10-06 EP disclosed
US-20040038948-A1 Therapeutic compositions and methods UHRICH KATHRYN E (US) 2004-02-26 US disclosed
US-6685928-B2 ADMINISTERING AN EFFECTIVE AMOUNT OF AN ANTI-INFLAMMATORY AGENT TO OR NEAR THE TISSUE TO PROMOTE HEALING OF TISSUE; USEFUL IN DENTAL AND ORTHOPEDIC APPLICATIONS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2004-02-03 US disclosed
US-20030035787-A1 Polyanhydrides with biologically active degradation products RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2003-02-20 US disclosed
US-6468519-B1 DEPOLYMERIZATION OF BIOCOMPATIBLE TREATMENT AGENT PROVIDING ALPHAHYDROXYACIDS SUCH AS CITRIC ACID OR MALIC ACID; CREAMS, MOISTURIZERS, CLEANSERS, LOTIONS, SHAMPOOS, LIPSTICKS; SMOOTHER, CLEARER SKIN WITH FEWER WRINKLES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2002-10-22 US disclosed
US-20020106345-A1 Therapeutic compositions and methods POLYMERIX CORPORATION 2002-08-08 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 (6 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-20020106345-A1 Therapeutic compositions and methods COL2A1, BMP2, BMP4 ALDH1A1 2968/4885KMT2A 4312/4885PTK2B 1315/4885
US-20110223232-A1 DRUG-RELEASE COMPOSITION HAVING A THERAPEUTIC CARRIER ABCB1, ABCB11, ABCC1 ALDH1A1 3485/4885KMT2A 4675/4885PTK2B 3360/4885
US-20070014832-A1 Therapeutic compositions and methods COL2A1, BMP2, BMP4 ALDH1A1 2968/4885KMT2A 4312/4885PTK2B 1315/4885
US-20040038948-A1 Therapeutic compositions and methods COL2A1, BMP2, BMP4 ALDH1A1 2968/4885KMT2A 4312/4885PTK2B 1315/4885
US-20100074937-A1 POLYANHYDRIDES WITH THERAPEUTICALLY USEFUL DEGRADATION PRODUCTS AADAT, PAH, APEH ALDH1A1 602/4885KMT2A 2177/4885PTK2B 1093/4885
US-20030035787-A1 Polyanhydrides with biologically active degradation products SI, HAAO, GUSB ALDH1A1 269/4885KMT2A 4302/4885PTK2B 3552/4885

“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.