SCHEMBL1705855

SCHEMBL1705855

CCOC(=O)Cc1cccc(C2(C)OCCO2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LIPE Q05469 1/20 0.38
PPID Q08752 1/20 0.37
F10 P00742 1/20 0.37
POLB P06746 2/20 0.37
MAOB P27338 2/20 0.36
SLC7A5 Q01650 1/20 0.36
CYP4Z1 Q86W10 1/20 0.36
PPARG P37231 1/20 0.36

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
SCHEMBL1706213 0.84 MTNR1A (0.36) GAANPC1RAB9ASMN1; SMN2HTT
SCHEMBL1706364 0.82 AKR1B1 (0.43) GAANFKB1POLBHCAR3HCAR2
SCHEMBL27899553 0.80 TSHR (0.38) GAASMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL20346365 0.78 MAPT (0.44) NPC1PKMNFKB1RAB9ANFKB2
SCHEMBL68412 0.78 L3MBTL1 (0.50) NPC1PKMNFKB1RAB9ANFKB2
SCHEMBL27974805 0.77 ALDH1A1 (0.37) SMN1; SMN2L3MBTL1HCAR3HCAR2
SCHEMBL856097 0.75 OPRM1 (0.40) GAASMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL2457851 0.75 SLC7A5 (0.47) NPC1PKMNFKB1RAB9ANFKB2
SCHEMBL1706426 0.75 ALDH1A1 (0.38) SMN1; SMN2MEN1KMT2APOLB
SCHEMBL1515865 0.74 L3MBTL1 (0.49) NPC1PKMNFKB1RAB9ANFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8674111-B2 Oxazole and thiazole derivatives as ALX receptor agonists ACTELION PHARMACEUTICALS LTD. (CH) 2014-03-18 US disclosed
EP-2440536-B1 Oxazole and thiazole derivatives as ALX receptor agonists ACTELION PHARMACEUTICALS LTD (CH) 2013-11-06 EP disclosed
US-20120115916-A1 OXAZOLE AND THIAZOLE DERIVATIVES AS ALX RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2012-05-10 US disclosed
EP-2440536-A1 OXAZOLE AND THIAZOLE DERIVATIVES AS ALX RECEPTOR AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2012-04-18 EP disclosed
WO-2010143158-A1 OXAZOLE AND THIAZOLE DERIVATIVES AS ALX RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-12-16 WO 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-20120115916-A1 OXAZOLE AND THIAZOLE DERIVATIVES AS ALX RECEPTOR AGONISTS P2RX1, GLP1R, P2RX7 GAA 1848/4885NPC1 3209/4885PKM 2773/4885

“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.