SCHEMBL7073559

SCHEMBL7073559

COc1ccc(SCC(CCCC(=O)O)C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.48
MMP2 P08253 2/20 0.45
MMP9 P14780 2/20 0.45
MMP12 P39900 2/20 0.45
ALDH1A1 P00352 4/20 0.42
LMNA P02545 1/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
LDHA P00338 1/20 0.41
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP2D6 P10635 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALOX5 P09917 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
FFAR1 O14842 1/20 0.39

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
SCHEMBL7075493 0.90 ALDH1A1 (0.43) MMP2MMP9MMP12ALDH1A1LMNA
SCHEMBL6380461 0.85 MTNR1A (0.50) ALDH1A1LMNAMTNR1AMTNR1BLDHA
SCHEMBL7074737 0.85 TAS1R3 (0.44) MMP2MMP9MMP12ALDH1A1MTNR1A
SCHEMBL7078743 0.83 GRIK1 (0.48) PDE4BMMP2ALDH1A1NPSR1KMT2A
SCHEMBL6378034 0.81 HTT (0.51) ALDH1A1MTNR1AMTNR1BHTTNPSR1
SCHEMBL7081555 0.79 POLB (0.46) MMP2MMP9ALDH1A1HTTNPSR1
SCHEMBL3130467 0.78 ALDH1A1 (0.64) PDE4BALDH1A1LMNAMTNR1AMTNR1B
SCHEMBL7073583 0.78 MMP2 (0.56) MMP2MMP9ALDH1A1CYP2D6MEN1
SCHEMBL4406395 0.77 ALDH1A1 (0.58) PDE4BALDH1A1LMNAMTNR1AMTNR1B
SCHEMBL7074193 0.77 PPARG (0.56) LDHANPSR1PPARGPPARACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030207889-A1 Hydroxamic and carboxylic acid derivatives having MMP and TNF inhibitory activity OWEN DAVID ALAN (GB) 2003-11-06 US disclosed
US-6566384-B1 For therapy of cancer, inflammation and inflammatory diseases, tissue degeneration, periodontal disease, ophthalmological disease, dermatological disorders, fever, cardiovascular effects, haemorrhage, coagulation and acute phase response DARWIN DISCOVERY LTD. (GB) 2003-05-20 US disclosed
US-6118001-A ANTICANCER AGENT; ANTIARTHRITIC AGENT DARWIN DISCOVERY, LTD. (GB) 2000-09-12 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 (1 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-20030207889-A1 Hydroxamic and carboxylic acid derivatives having MMP and TNF inhibitory activity MMP13, MMP2, MMP9 PDE4B 3753/4885MMP2 2/4885MMP9 3/4885

“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.