SCHEMBL1245561

SCHEMBL1245561

CC(C(=C(C#N)C(=O)O)c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
LMNA P02545 4/20 0.44
MAPT P10636 3/20 0.44
MAPK1 P28482 3/20 0.44
XBP1 P17861 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PTGS2 P35354 4/20 0.41
PTGS1 P23219 3/20 0.41
CXCR1 P25024 2/20 0.41
CXCR2 P25025 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RECQL P46063 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
PMP22 Q01453 1/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CXCL8 P10145 1/20 0.41

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
SCHEMBL1702752 0.81 PTGS2 (0.42) ALDH1A1LMNAMAPTMAPK1XBP1
SCHEMBL28647295 0.80 ALDH1A1 (0.43) ALDH1A1LMNAMAPTMAPK1XBP1
SCHEMBL8201126 0.76 ALDH1A1 (0.41) ALDH1A1LMNAMAPTMAPK1XBP1
SCHEMBL11477347 0.73 PTGS2 (0.47) ALDH1A1LMNAMAPTMAPK1PTGS2
Ethane SCHEMBL5679245 0.72 ALDH1A1 (0.51) ALDH1A1LMNAMAPTMAPK1XBP1
SCHEMBL2566022 0.72 ALDH1A1 (0.51) ALDH1A1LMNAMAPTMAPK1XBP1
SCHEMBL3289274 0.72 ALDH1A1 (0.51) ALDH1A1LMNAMAPTMAPK1XBP1
SCHEMBL2566020 0.72 ALDH1A1 (0.51) ALDH1A1LMNAMAPTMAPK1XBP1
SCHEMBL12387037 0.71 ALDH1A1 (0.47) ALDH1A1LMNAMAPTMAPK1XBP1
SCHEMBL393440 0.71 ALDH1A1 (0.50) ALDH1A1LMNAMAPTMAPK1XBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110082200-A1 5,6,7-TRIHYDROXYHEPTANOIC ACID AND ANALOGS FOR THE TREATMENT OF OCULAR DISEASES AND DISEASES ASSOCIATED WITH HYPERPROLIFERATIVE AND ANGIOGENIC RESPONSES ALCON, INC. (CH) 2011-04-07 US disclosed
US-7879905-B2 treating persons suffering from age-related macular degeneration comprising administering 5,6,7-trihydroxyheptanoic acid analogs such as 5,6,7-trihydroxyheptanoic acid, methyl ester; vision defects ALCON, INC. (CH) 2011-02-01 US disclosed
EP-1809270-B1 5,6,7-TRIHYDROXYHEPTANOIC ACID AND ANALOGS FOR THE TREATMENT OF OCULAR DISEASES AND DISEASES ASSOCIATED WITH HYPERPROLIFERATIVE AND ANGIOGENIC RESPONSES ALCON INC (CH) 2010-03-24 EP disclosed
EP-1809270-A1 5,6,7-TRIHYDROXYHEPTANOIC ACID AND ANALOGS FOR THE TREATMENT OF OCULAR DISEASES AND DISEASES ASSOCIATED WITH HYPERPROLIFERATIVE AND ANGIOGENIC RESPONSES ALCON INC. (CH) 2007-07-25 EP disclosed
WO-2006052950-A1 5,6,7-TRIHYDROXYHEPTANOIC ACID AND ANALOGS FOR THE TREATMENT OF OCULAR DISEASES AND DISEASES ASSOCIATED WITH HYPERPROLIFERATIVE AND ANGIOGENIC RESPONSES ALCON, INC. (CH) 2006-05-18 WO disclosed
US-20060099248-A1 5,6,7-Trihydroxyheptanoic acid and analogs for the treatment of ocular diseases and diseases associated with hyperproliferative and angiogenic responses ALCON, INC. 2006-05-11 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 (2 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-20060099248-A1 5,6,7-Trihydroxyheptanoic acid and analogs for the treatment of ocular diseases and diseases associated with hyperproliferative and angiogenic responses HPGDS, ADCYAP1R1, VEGFA ALDH1A1 1105/4885LMNA 2852/4885MAPT 4277/4885
US-20110082200-A1 5,6,7-TRIHYDROXYHEPTANOIC ACID AND ANALOGS FOR THE TREATMENT OF OCULAR DISEASES AND DISEASES ASSOCIATED WITH HYPERPROLIFERATIVE AND ANGIOGENIC RESPONSES HPGDS, ADCYAP1R1, VEGFA ALDH1A1 1105/4885LMNA 2852/4885MAPT 4277/4885

“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.