SCHEMBL3220077

SCHEMBL3220077

[c]1ccc(OCc2ccc3c(c2)OCO3)cc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
MAOB P27338 6/20 0.55
MAOA P21397 2/20 0.52
HPGD P15428 1/20 0.52
CYP3A4 P08684 2/20 0.51
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
AR P10275 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
SLC6A4 P31645 1/20 0.45
CYP1A2 P05177 1/20 0.45
MAPT P10636 1/20 0.45
CALM1 P0DP23 2/20 0.45

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
SCHEMBL11698521 0.84 MAOB (0.71) NPC1RAB9AMAOBMAOAHPGD
SCHEMBL25568056 0.81 NPC1 (0.83) NPC1RAB9AMAOBMAOAHPGD
SCHEMBL11663617 0.79 MAOB (0.68) NPC1RAB9AMAOBMAOAHPGD
SCHEMBL11559934 0.79 MAOB (0.68) NPC1RAB9AMAOBMAOAHPGD
SCHEMBL11613149 0.79 MAOB (0.73) NPC1RAB9AMAOBMAOAHPGD
SCHEMBL9393510 0.78 HPGD (0.65) NPC1RAB9AMAOBMAOAHPGD
SCHEMBL30023457 0.78 HPGD (0.65) NPC1RAB9AMAOBMAOAHPGD
SCHEMBL7908999 0.77 MAOB (0.55) NPC1RAB9AMAOBMAOAHPGD
SCHEMBL10878729 0.77 RAB9A (0.65) NPC1RAB9AMAOBMAOAHPGD
SCHEMBL22964154 0.76 CALM1 (0.64) NPC1RAB9AMAOBMAOAHPGD

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
US-20100041694-A1 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENIC MICROBES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-02-18 US disclosed
WO-2008126684-A2 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-10-23 WO disclosed
US-6610731-B2 Antiinflammatory BRISTOL-MYERS SQUIBB COMPANY 2003-08-26 US disclosed
US-6403632-B1 CYCLIC AMIDE DERIVATIVE BRISTOL MYERS SQUIBB PHARMA CO (US) 2002-06-11 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-20100041694-A1 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENIC MICROBES HDHD5, NAAA, BROX NPC1 1555/4885RAB9A 584/4885MAOB 3656/4885

“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.