SCHEMBL15968514

SCHEMBL15968514

COc1cc(-c2nc3cnc(OC[C@H](C)NC(C)=O)cc3o2)ccc1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 9/20 0.56
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 3/20 0.44
TSHR P16473 2/20 0.44
HSD17B10 Q99714 2/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
PTGS2 P35354 2/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 1/20 0.42
HTT P42858 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
DHODH Q02127 1/20 0.40
ACACA Q13085 1/20 0.40
KDR P35968 1/20 0.40

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
SCHEMBL15969320 0.90 ACACB (0.56) ACACBACACA
SCHEMBL15968596 0.88 ACACB (0.60) ACACBMTNR1AMTNR1BACACA
SCHEMBL15968100 0.85 ACACB (0.49) ACACBLMNAMAPT
SCHEMBL15968167 0.84 ACACB (0.58) ACACBACACA
SCHEMBL15968939 0.83 ACACB (0.46) ACACBACACA
SCHEMBL15968832 0.83 ACACB (0.46) ACACBACACA
SCHEMBL15968238 0.82 ACACB (0.56) ACACBACACA
SCHEMBL15968347 0.82 ACACB (0.47) ACACBHSD17B10LMNAPTGS2MAPT
SCHEMBL15968336 0.81 ACACB (0.53) ACACBHSD17B10MAPTSMN1; SMN2HTT
SCHEMBL15969829 0.79 ACACB (0.56) ACACBMTNR1AMTNR1BACACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133129-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-09-15 US disclosed
EP-2772485-A1 BICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2014-09-03 EP disclosed
US-20140243310-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-28 US 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-20140243310-A1 BICYCLIC COMPOUND BICRA, NR3C2, CYP11B2 ACACB 1112/4885ALDH1A1 450/4885KDM4E 1635/4885

“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.