SCHEMBL3604397

SCHEMBL3604397

COc1ccc(COc2ccc(C(=O)[C@@H](C)O)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.68
NPC1 O15118 1/20 0.68
POLB P06746 1/20 0.68
RAB9A P51151 1/20 0.68
ALDH1A1 P00352 1/20 0.62
MAPT P10636 1/20 0.62
HTT P42858 1/20 0.62
PLA2G4B P0C869 1/20 0.59
FFAR1 O14842 4/20 0.57
RXRA P19793 2/20 0.55
RXRB P28702 2/20 0.55
HPGD P15428 1/20 0.53
APP P05067 3/20 0.53
PARP10 Q53GL7 1/20 0.53
MAOB P27338 2/20 0.51
PTPRC P08575 1/20 0.51
PTPN2 P17706 1/20 0.51
PTPN1 P18031 1/20 0.51

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
SCHEMBL3604393 1.00 SMN1; SMN2 (0.68) SMN1; SMN2NPC1POLBRAB9AALDH1A1
SCHEMBL22386732 0.89 SMN1; SMN2 (0.69) SMN1; SMN2NPC1POLBRAB9AALDH1A1
SCHEMBL2633871 0.85 CES2 (0.59) RAB9AALDH1A1MAPTHPGDPARP10
SCHEMBL13826563 0.85 SMN1; SMN2 (0.68) SMN1; SMN2NPC1POLBRAB9AALDH1A1
SCHEMBL11075081 0.83 SMN1; SMN2 (0.61) SMN1; SMN2NPC1POLBRAB9AALDH1A1
SCHEMBL3613095 0.82 SMN1; SMN2 (0.59) SMN1; SMN2NPC1POLBRAB9AALDH1A1
SCHEMBL3613091 0.82 SMN1; SMN2 (0.59) SMN1; SMN2NPC1POLBRAB9AALDH1A1
SCHEMBL933577 0.81 MAOB (0.76) SMN1; SMN2NPC1POLBRAB9AALDH1A1
SCHEMBL28335896 0.81 RAB9A (1.00) SMN1; SMN2NPC1POLBRAB9AALDH1A1
SCHEMBL1186510 0.81 RAB9A (1.00) SMN1; SMN2NPC1POLBRAB9AALDH1A1

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-20100168156-A1 Novel Benzoxathiine Derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-07-01 US disclosed
EP-1944301-A1 NOVEL BENZOXATHIIN DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-07-16 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-20100168156-A1 Novel Benzoxathiine Derivative XDH, GPR119, BRIX1 SMN1; SMN2 3660/4885NPC1 3375/4885POLB 4459/4885

“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.