SCHEMBL19984479

SCHEMBL19984479

C[C@H](N)COc1ccc(Oc2ccc(OCc3ccccc3)nc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACACB O00763 6/20 0.55
ACACA Q13085 4/20 0.55
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
LTA4H P09960 2/20 0.41
GAA P10253 2/20 0.41
MAOB P27338 2/20 0.41
MAPT P10636 1/20 0.41
MAOA P21397 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
FFAR1 O14842 1/20 0.40
MEN1 O00255 1/20 0.40
PABPC1 P11940 1/20 0.40
KMT2A Q03164 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
SCHEMBL1547569 0.86 MAOB (0.54) ACACBPPARGPPARDPPARALTA4H
SCHEMBL1547697 0.86 MAOB (0.54) ACACBPPARGPPARDPPARALTA4H
SCHEMBL2167110 0.84 ACACB (0.53) ACACBACACAPPARGPPARDPPARA
SCHEMBL10606913 0.82 MAOB (0.59) LTA4HGAAMAOBMAPTMAOA
SCHEMBL13047644 0.81 ACACB (0.56) ACACBACACAPPARGPPARDPPARA
SCHEMBL18026569 0.80 ACACB (0.77) ACACBACACA
SCHEMBL1547599 0.78 ACACB (0.53) ACACBACACAGAAMAOBMAPT
SCHEMBL14306845 0.75 FFAR1 (0.54) ACACBACACALTA4HMAOAFFAR1
SCHEMBL3759614 0.75 NR4A2 (0.63) ACACBACACAMAOBMEN1KMT2A
SCHEMBL1547629 0.75 ACACB (0.56) ACACBACACAGAAMAOBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10233156-B2 9-membered fused ring derivative SHIONOGI & CO., LTD. (JP) 2019-03-19 US disclosed
US-20180079727-A1 9-MEMBERED FUSED RING DERIVATIVE SHIONOGI & CO., LTD. (JP) 2018-03-22 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 (2 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-20180079727-A1 9-MEMBERED FUSED RING DERIVATIVE ACSS2, AGTR2, ACSL3 ACACB 7/4885ACACA 12/4885PPARG 3978/4885
US-10233156-B2 9-membered fused ring derivative AGTR2, ACSS2, ACSL3 ACACB 5/4885ACACA 10/4885PPARG 3931/4885

“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.