SCHEMBL4847898

SCHEMBL4847898

COc1cc(CO)ccc1OCc1nc(-c2ccccc2)sc1C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.48
POLB P06746 1/20 0.48
RAB9A P51151 1/20 0.48
F2RL3 Q96RI0 4/20 0.47
F2 P00734 1/20 0.47
GAA P10253 1/20 0.43
BCHE P06276 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
KDR P35968 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
S1PR4 O95977 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR5 Q9H228 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
CTSA P10619 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
SCHEMBL1733090 0.89 TTR (0.48) F2RL3BCHEPTGDR2MEN1KMT2A
SCHEMBL4850465 0.84 PPARD (0.54) NPC1POLBRAB9AGAAPTGDR2
SCHEMBL4845955 0.82 ALDH1A1 (0.51) NPC1RAB9AMEN1KMT2A
SCHEMBL4035370 0.81 FFAR1 (0.48) KDR
SCHEMBL4038141 0.79 KDR (0.67) NPC1POLBRAB9AKDR
SCHEMBL6973328 0.78 PTPN1 (0.45) F2RL3GAAMEN1KMT2A
SCHEMBL4038147 0.78 CD274 (0.45)
SCHEMBL4034919 0.77 RARA (0.49) NPC1RAB9AGAA
SCHEMBL4848311 0.76 ALDH1A1 (0.46) NPC1POLBRAB9AF2RL3F2
SCHEMBL8341338 0.76 PPARG (0.41) F2RL3MEN1KMT2A

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-7368578-B2 Five-membered heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-06 US disclosed
US-20060135578-A1 Five-membered heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-22 US disclosed
EP-1541564-A1 FIVE-MEMBERED HETEROCYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2005-06-15 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-20060135578-A1 Five-membered heterocyclic compounds GPR119, OR10J3, CYP11B1 NPC1 822/4885POLB 3042/4885RAB9A 1036/4885

“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.