SCHEMBL14825083

SCHEMBL14825083

COc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)c(OC)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 14/20 0.74
RAB9A P51151 13/20 0.74
SMN1; SMN2 Q16637 7/20 0.74
TP53 P04637 6/20 0.74
MAPT P10636 5/20 0.74
TSHR P16473 3/20 0.74
ALDH1A1 P00352 3/20 0.73
PKM P14618 4/20 0.70
NFKB1 P19838 2/20 0.70
NFKB2 Q00653 2/20 0.70
RELA Q04206 2/20 0.70
ATM Q13315 1/20 0.66
POLB P06746 1/20 0.64
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
KDM4E B2RXH2 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
LMNA P02545 1/20 0.59
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58

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
SCHEMBL16149341 0.81 NPC1 (0.74) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL3596544 0.80 NPC1 (0.62) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL3597396 0.80 NPC1 (0.62) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL3596550 0.80 NPC1 (0.62) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL1353243 0.78 NPC1 (0.72) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL16148074 0.78 NPC1 (0.69) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL30786728 0.76 KMT2A (0.75) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL4141992 0.76 KMT2A (0.75) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL5934413 0.76 NPC1 (0.65) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL14157012 0.76 NPC1 (0.66) NPC1RAB9ASMN1; SMN2TP53MAPT

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-20130085133-A1 ANTI-VIRAL TREATMENT AND ASSAY TO SCREENFOR ANTI-VIRAL AGENT Sourthern Research Institute Office of Commercialization and Intellectual Prop. (US) 2013-04-04 US disclosed
US-20130085133-A1 ANTI-VIRAL TREATMENT AND ASSAY TO SCREENFOR ANTI-VIRAL AGENT Sourthern Research Institute Office of Commercialization and Intellectual Prop. (US) 2013-04-04 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-20130085133-A1 ANTI-VIRAL TREATMENT AND ASSAY TO SCREENFOR ANTI-VIRAL AGENT MAVS, SNRPE, LONP1 NPC1 1234/4885RAB9A 1701/4885SMN1; SMN2 1270/4885

“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.