SCHEMBL1959404

SCHEMBL1959404

Cc1cccc(OC(C)CO)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
ACHE P22303 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45
MTNR1A P48039 3/20 0.43
MTNR1B P49286 3/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
RECQL P46063 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL223920 0.86 LMNA (0.47) LMNAACHESMN1; SMN2ADRB2ADRB1
SCHEMBL8063816 0.83 LMNA (0.52) LMNAACHESMN1; SMN2ADRB2ADRB1
SCHEMBL13790939 0.83 ACHE (0.50) LMNAACHESMN1; SMN2ADRB2ADRB1
SCHEMBL13791121 0.83 ACHE (0.50) LMNAACHESMN1; SMN2ADRB2ADRB1
SCHEMBL30549089 0.81 LMNA (0.50) LMNAACHESMN1; SMN2ADRB2ADRB1
SCHEMBL20508719 0.81 ACHE (0.48) LMNAACHESMN1; SMN2ADRB2ADRB1
SCHEMBL18551444 0.81 ACHE (0.48) LMNAACHESMN1; SMN2ADRB2ADRB1
SCHEMBL20076063 0.81 ACHE (0.48) LMNAACHESMN1; SMN2ADRB2ADRB1
SCHEMBL9987208 0.81 CYP3A4 (0.50) LMNAMTNR1AMTNR1BALDH1A1
SCHEMBL9987204 0.81 CYP3A4 (0.50) LMNAMTNR1AMTNR1BALDH1A1

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 12 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
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
US-5010198-A Intermediates for the synthesis of benzoxazol- and benzothiazolamine derivatives, useful as anti-anoxic agents JANSSEN PHARMACEUTICA N.V. (BE) 1991-04-23 US disclosed
EP-0184257-B1 BENZOXAZOL- AND BENZOTHIAZOLAMINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1990-07-25 EP disclosed
US-4861785-A Benzoxazol-and benzothiazolamine derivatives, useful as anti-anoxic agents JANSSEN PHARMACEUTICA N.V. (BE) 1989-08-29 US disclosed
EP-0184257-A1 Benzoxazol- and benzothiazolamine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1986-06-11 EP 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 LMNA 3212/4885ACHE 1069/4885SMN1; SMN2 1991/4885
US-20100029589-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R LMNA 3212/4885ACHE 1069/4885SMN1; SMN2 1991/4885
US-20100041686-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R LMNA 3212/4885ACHE 1069/4885SMN1; SMN2 1991/4885
US-20120165294-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R LMNA 3212/4885ACHE 1069/4885SMN1; SMN2 1991/4885

“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.