SCHEMBL525296

SCHEMBL525296

COc1cc(-c2coc3c2C(=O)CCC3)cc(OC)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.50
HSD17B3 P37058 1/20 0.43
PDE1A P54750 2/20 0.40
PDE1B Q01064 2/20 0.40
PDE3B Q13370 2/20 0.40
PDE1C Q14123 2/20 0.40
PDE3A Q14432 2/20 0.40
NQO2 P16083 1/20 0.40
ALDH1A1 P00352 4/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ATM Q13315 2/20 0.39
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
XBP1 P17861 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
PAX8 Q06710 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LY96 Q9Y6Y9 1/20 0.39

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
SCHEMBL525293 0.80 HSD17B1 (0.39) BRD4ALDH1A1MAPTNPSR1NPC1
SCHEMBL524971 0.77 ALDH1A1 (0.40) BRD4ALDH1A1MAPTTDP1SMN1; SMN2
SCHEMBL525555 0.76 BRD4 (0.52) BRD4ALDH1A1MAPTNPC1RAB9A
SCHEMBL525075 0.75 TSHR (0.43) BRD4ALDH1A1MAPTNPSR1NPC1
SCHEMBL525732 0.71 ALOX15 (0.42) BRD4ALDH1A1MAPTNPSR1NPC1
SCHEMBL525638 0.70 BRD4 (0.43) BRD4ALDH1A1MAPTNPC1MAPK1
SCHEMBL525730 0.69 SRC (0.43) BRD4ALDH1A1MAPTNPSR1
SCHEMBL525511 0.69 CHRNB4 (0.36) BRD4ALDH1A1LMNASMN1; SMN2MAOB
SCHEMBL525420 0.69 EGFR (0.43) ALDH1A1KDM4EMAOB
SCHEMBL525548 0.69 KDM4E (0.38) PDE3BPDE3AMAPTKDM4EMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9315482-B2 Derivatives useful as antiviral agents INSTITUT PASTEUR (FR) 2016-04-19 US claimed
US-20130210886-A1 Novel Derivatives Useful as Antiviral Agents INSTITUT PASTEUR (FR) 2013-08-15 US claimed
EP-2598495-A1 NOVEL DERIVATIVES USEFUL AS ANTIVIRAL AGENTS Institut Pasteur (FR) 2013-06-05 EP claimed
EP-2420495-A1 Novel derivatives useful as antiviral agents Institut Pasteur (FR) 2012-02-22 EP claimed
WO-2012014181-A1 NOVEL DERIVATIVES USEFUL AS ANTIVIRAL AGENTS INSTITUT PASTEUR (FR) 2012-02-02 WO claimed
US-9315482-B2 Derivatives useful as antiviral agents INSTITUT PASTEUR (FR) 2016-04-19 US disclosed
US-20130210886-A1 Novel Derivatives Useful as Antiviral Agents INSTITUT PASTEUR (FR) 2013-08-15 US disclosed
EP-2598495-A1 NOVEL DERIVATIVES USEFUL AS ANTIVIRAL AGENTS Institut Pasteur (FR) 2013-06-05 EP disclosed
EP-2420495-A1 Novel derivatives useful as antiviral agents Institut Pasteur (FR) 2012-02-22 EP disclosed
WO-2012014181-A1 NOVEL DERIVATIVES USEFUL AS ANTIVIRAL AGENTS INSTITUT PASTEUR (FR) 2012-02-02 WO 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-20130210886-A1 Novel Derivatives Useful as Antiviral Agents MAVS, IRF3, IFNAR1 BRD4 1780/4885HSD17B3 3566/4885PDE1A 4669/4885

“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.