SCHEMBL10296117

SCHEMBL10296117

CC1(C)OC(=O)C(CCCc2ccccc2)C(=O)O1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLA2G6 O60733 2/20 0.44
PLA2G4A P47712 1/20 0.44
GLA P06280 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
FASN P49327 1/20 0.40
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38

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
SCHEMBL29097002 0.83 PLA2G6 (0.43) PLA2G6PLA2G4AFASNGAAL3MBTL1
SCHEMBL21804589 0.81 NAAA (0.44) GLANPSR1L3MBTL1
SCHEMBL7417047 0.80 GLA (0.66) GLANPSR1FASN
SCHEMBL22409642 0.77 ALDH1A1 (0.44) GAAL3MBTL1
SCHEMBL19376943 0.77 TAAR1 (0.46) PLA2G6PLA2G4AFASNTAAR1
SCHEMBL22481259 0.77 ALDH1A1 (0.43) GLANPSR1GAAL3MBTL1
SCHEMBL6174462 0.76 PLA2G6 (0.41) PLA2G6PLA2G4ATAAR1
SCHEMBL3097535 0.74 GLA (0.48) GLANPSR1GAAL3MBTL1TAAR1
SCHEMBL23459023 0.74 LMNA (0.39)
SCHEMBL23459024 0.74 LMNA (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172392-A1 AMINE-BASED AND AMIDE-BASED INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) ENZYME ACTIVITY AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT OF DISEASES SALTER-CID LUISA M (US) 2012-07-05 US disclosed
US-20070078157-A1 Amine-based and amide-based inhibitors of semicarbazide-sensitive amine oxidase (SSAO)enzyme activity and VAP-1 mediated adhesion useful for treatment of diseases LA JOLLA PHARMACEUTICAL COMPANY (US) 2007-04-05 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-20070078157-A1 Amine-based and amide-based inhibitors of semicarbazide-sensitive amine oxidase (SSAO)enzyme activity and VAP-1 mediated adhesion useful for treatment of diseases VCAM1, AOC2, AOC1 PLA2G6 3988/4885PLA2G4A 3959/4885GLA 3070/4885
US-20120172392-A1 AMINE-BASED AND AMIDE-BASED INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) ENZYME ACTIVITY AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT OF DISEASES VCAM1, AOC2, AOC1 PLA2G6 3988/4885PLA2G4A 3959/4885GLA 3070/4885

“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.