SCHEMBL525508

SCHEMBL525508

CC1(C)CC(=O)c2c(-c3cccc(Cl)c3)coc2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.47
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SRC P12931 1/20 0.42
EGFR P00533 3/20 0.41
ABL1 P00519 1/20 0.41
ABL2 P42684 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
PIK3CA P42336 1/20 0.41
NTRK3 Q16288 1/20 0.40
NTRK2 Q16620 1/20 0.40
CYP11B2 P19099 1/20 0.40
BUB1 O43683 1/20 0.40
KCNA3 P22001 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 2/20 0.38

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
SCHEMBL525420 0.78 EGFR (0.43) PGRSRCEGFRABL1ABL2
SCHEMBL525765 0.78 EGFR (0.41) PGREGFRABL1ABL2ALOX15
SCHEMBL14628082 0.69 TDP1 (0.50) MEN1KMT2AALOX12NTRK3NTRK2
SCHEMBL8283812 0.68 PGR (0.55) PGRMEN1KMT2ASRCCYP11B2
SCHEMBL525560 0.65 EGFR (0.38) EGFRABL1ABL2ALOX15ALOX12
SCHEMBL525561 0.65 EGFR (0.38) EGFRABL1ABL2ALOX15ALOX12
SCHEMBL525548 0.65 KDM4E (0.38) MEN1KMT2ABUB1KDM4EMAPT
SCHEMBL525732 0.65 ALOX15 (0.42) PGRALOX15ALOX12KCNA3ALDH1A1
SCHEMBL10946106 0.64 PGR (0.42) PGRMEN1KMT2ASRCCYP11B2
SCHEMBL2315869 0.64 NTRK3 (0.46) MEN1KMT2AALOX12NTRK3NTRK2

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 PGR 3850/4885MEN1 3105/4885KMT2A 2031/4885

“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.