SCHEMBL525765

SCHEMBL525765

CC1CC(=O)c2c(-c3cccc(Cl)c3)coc2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.41
KCNA3 P22001 1/20 0.40
ABL1 P00519 1/20 0.40
ABL2 P42684 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
PIK3CA P42336 1/20 0.40
GRM5 P41594 1/20 0.38
PGR P06401 2/20 0.38
GRM2 Q14416 1/20 0.36
HTR1A P08908 1/20 0.35
HTR7 P34969 1/20 0.35
CA12 O43570 2/20 0.34
CA9 Q16790 2/20 0.34
STAT3 P40763 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GABRA1 P14867 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRP O00591 1/20 0.34

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
SCHEMBL525508 0.78 PGR (0.47) EGFRKCNA3ABL1ABL2ALOX15
SCHEMBL525420 0.77 EGFR (0.43) EGFRKCNA3ABL1ABL2ALOX15
SCHEMBL10013879 0.68 ALDH1A1 (0.47) STAT3GABRA1GABRG2GABRB3GABRA5
SCHEMBL351647 0.68 ALDH1A1 (0.47) STAT3GABRA1GABRG2GABRB3GABRA5
SCHEMBL13884115 0.64 EGFR (0.44) EGFRKCNA3ABL1ABL2ALOX15
SCHEMBL525560 0.64 EGFR (0.38) EGFRABL1ABL2ALOX15ALOX12
SCHEMBL525561 0.64 EGFR (0.38) EGFRABL1ABL2ALOX15ALOX12
SCHEMBL525732 0.64 ALOX15 (0.42) KCNA3ALOX15ALOX12PGRCA12
SCHEMBL24897762 0.64 GRM5 (0.45) GRM5STAT3
SCHEMBL14741276 0.64 METAP1 (0.48) GRM5STAT3

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 EGFR 3807/4885KCNA3 4500/4885ABL1 1432/4885

“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.