SCHEMBL2894516

SCHEMBL2894516

CC(C)Cc1ncccc1CO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.46
ALDH1A1 P00352 1/20 0.46
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 4/20 0.40
NPC1 O15118 2/20 0.40
HTT P42858 2/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
MAPT P10636 1/20 0.37
HSD17B10 Q99714 2/20 0.37
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
NMT1 P30419 1/20 0.37

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
SCHEMBL6563481 0.86 GABRA1 (0.47) L3MBTL1ALDH1A1GABRA1GABRB2KDM4E
SCHEMBL20332799 0.86 L3MBTL1 (0.43) L3MBTL1ALDH1A1GABRA1GABRB2MEN1
SCHEMBL2084784 0.85 L3MBTL1 (0.50) L3MBTL1ALDH1A1GABRA1GABRB2MEN1
SCHEMBL18566486 0.83 PDE3B (0.41) L3MBTL1ALDH1A1GABRA1GABRB2KDM4E
Hydrochloric Acid SCHEMBL28470006 0.81 PDE3B (0.41) L3MBTL1ALDH1A1GABRA1GABRB2KDM4E
SCHEMBL360470 0.80 L3MBTL1 (0.61) L3MBTL1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL29593270 0.80 L3MBTL1 (0.61) L3MBTL1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL27223876 0.79 GABRA1 (0.36) L3MBTL1ALDH1A1GABRA1GABRB2KDM4E
SCHEMBL844538 0.79 L3MBTL1 (0.50) L3MBTL1ALDH1A1GABRA1GABRB2MEN1
Hydrochloric Acid SCHEMBL1852816 0.78 L3MBTL1 (0.59) L3MBTL1ALDH1A1MEN1KMT2AKDM4E

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 L3MBTL1 3906/4885ALDH1A1 2105/4885GABRA1 91/4885

“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.