SCHEMBL2891302

SCHEMBL2891302

CC(C)Oc1cc(CCO)ccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 6/20 0.41
LOXL2 Q9Y4K0 3/20 0.41
LOX P28300 2/20 0.41
CYP4F2 P78329 3/20 0.38
CYP4A11 Q02928 3/20 0.38
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX5 P09917 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
BACE1 P56817 1/20 0.35
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34

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
SCHEMBL4018741 0.86 RECQL (0.47) ACACBLOXL2LOXGABRPGABRD
SCHEMBL2497237 0.81 LOXL2 (0.62) ACACBLOXL2LOXCYP4F2CYP4A11
SCHEMBL16453525 0.81 NOS3 (0.48) ACACBLOXL2LOXGABRPGABRD
SCHEMBL1416713 0.80 ACACB (0.44) ACACBLOXL2LOXGABRPGABRD
SCHEMBL25300735 0.79 LOXL2 (0.66) ACACBLOXL2LOX
SCHEMBL27500020 0.77 CYP4F2 (0.48) ACACBCYP4F2CYP4A11
SCHEMBL20195258 0.75 ACACB (0.47) ACACBCYP4F2CYP4A11ALDH1A1ACACA
SCHEMBL4354739 0.74 ACACB (0.43) ACACBLOXL2LOXGABRPGABRD
SCHEMBL23732145 0.74 DRD2 (0.45) ALDH1A1
SCHEMBL21212835 0.74 KDM4E (0.38) CYP4F2CYP4A11KDM4EALDH1A1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2098517-B1 NOVEL PHENYL-ISOXAZOL-3-OL DERIVATIVE MSD KK (JP) 2013-12-18 EP disclosed
US-8367708-B2 Phenyl-isoxazol-3-ol derivative MSD K.K. (JP) 2013-02-05 US disclosed
US-20100130559-A1 NOVEL PHENYL-ISOXAZOL-3-OL DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-05-27 US disclosed
EP-2098517-A1 NOVEL PHENYL-ISOXAZOL-3-OL DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-09 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 (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-20100130559-A1 NOVEL PHENYL-ISOXAZOL-3-OL DERIVATIVE GPR119, FFAR3, FFAR2 ACACB 1174/4885LOXL2 426/4885LOX 1540/4885

“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.