SCHEMBL525607

SCHEMBL525607

O=C1CCCc2occ(-c3cccc(OCc4ccccc4)c3)c21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.57
MAOB P27338 6/20 0.51
HPD P32754 6/20 0.51
MAOA P21397 3/20 0.51
PIN1 Q13526 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
NFKB1 P19838 1/20 0.44
GRM5 P41594 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GSTP1 P09211 1/20 0.43
PRKDC P78527 2/20 0.43
CREBBP Q92793 1/20 0.42
ATM Q13315 1/20 0.42
ALOX5 P09917 1/20 0.42

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
SCHEMBL525555 0.81 BRD4 (0.52) BRD4MAOBNPC1ALDH1A1HPGD
SCHEMBL525732 0.74 ALOX15 (0.42) BRD4MAOBNPC1ALDH1A1HPGD
SCHEMBL525420 0.74 EGFR (0.43) MAOBMAOAALDH1A1HPGD
SCHEMBL525548 0.74 KDM4E (0.38) MAOBMAOAGRM5
SCHEMBL4095412 0.74 MAOA (0.77) BRD4MAOBHPDMAOAGSTP1
SCHEMBL15328748 0.72 BRD4 (1.00) BRD4HPDCREBBP
SCHEMBL27624293 0.72 MRGPRX4 (0.45) MAOBPIN1
SCHEMBL524806 0.72 TGFBR1 (0.34) ALDH1A1SMN1; SMN2
SCHEMBL3979344 0.71 SMPD1 (0.47) MAOBPIN1NPC1ALDH1A1RAB9A
SCHEMBL379281 0.70 MAOB (0.67) MAOBMAOAGSTP1ALOX5

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 1780/4885MAOB 640/4885HPD 4417/4885

“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.