SCHEMBL1836347

SCHEMBL1836347

CCC(C)OP(=O)(O)C(CC)c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 2/20 0.39
CYP1A2 P05177 1/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
PMP22 Q01453 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
RAB9A P51151 1/20 0.35
ADRB2 P07550 1/20 0.34
FFAR2 O15552 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
BRD4 O60885 1/20 0.33

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
SCHEMBL10625940 0.85 PGK1 (0.42) SMN1; SMN2MAPTCYP1A2LMNATHRB
SCHEMBL1961626 0.85 ALDH1A1 (0.39) SMN1; SMN2LMNANPSR1HTTMEN1
SCHEMBL11140305 0.85 POLB (0.44) SMN1; SMN2MAPTCYP1A2LMNATHRB
SCHEMBL1837400 0.84 ACP3 (0.44) LMNAPOLB
SCHEMBL11316430 0.84 SMN1; SMN2 (0.38) SMN1; SMN2MAPTCYP1A2LMNATHRB
SCHEMBL914853 0.76 HTT (0.39) SMN1; SMN2MAPTCYP1A2LMNATHRB
SCHEMBL10800872 0.75 MAPT (0.44) MAPTCYP1A2NPSR1MEN1KMT2A
SCHEMBL9303065 0.74 ESR1 (0.37) SMN1; SMN2MAPTCYP1A2LMNAALOX15
SCHEMBL6253499 0.74 MEN1 (0.43) SMN1; SMN2CYP1A2HTTMEN1KMT2A
SCHEMBL917066 0.74 HTT (0.37) SMN1; SMN2CYP1A2HTTPOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2321287-B1 4,5-DIHYDRO-OXAZOL-2-YL DERIVATIVES HOFFMANN LA ROCHE (CH) 2015-11-11 EP disclosed
US-8729113-B2 4,5-dihydro-oxazol-2yl derivatives HOFFMANN-LA ROCHE INC. (US) 2014-05-20 US disclosed
US-8357712-B2 2013-01-22 US disclosed
US-8242153-B2 4,5-dihydro-oxazol-2YL derivatives HOFFMANN-LA ROCHE INC. (US) 2012-08-14 US disclosed
US-20120165294-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES GALLEY GUIDO (DE) 2012-06-28 US disclosed
US-20110144333-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES GALLEY GUIDO 2011-06-16 US disclosed
EP-2321287-A1 4,5-DIHYDRO-OXAZOL-2-YL DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-05-18 EP disclosed
US-20100041686-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES HOFFMANN-LA ROCHE, INC. 2010-02-18 US disclosed
US-20100029589-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES HOFFMANN-LA ROCHE INC. 2010-02-04 US disclosed
WO-2010010014-A1 4,5-DIHYDRO-OXAZOL-2-YL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-01-28 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 (4 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-20110144333-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R SMN1; SMN2 1991/4885MAPT 263/4885CYP1A2 66/4885
US-20100029589-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R SMN1; SMN2 1991/4885MAPT 263/4885CYP1A2 66/4885
US-20100041686-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R SMN1; SMN2 1991/4885MAPT 263/4885CYP1A2 66/4885
US-20120165294-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R SMN1; SMN2 1991/4885MAPT 263/4885CYP1A2 66/4885

“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.