SCHEMBL14722950

SCHEMBL14722950

C=C(C)C(=O)OCCCCCCOc1ccc(C=C(C#N)c2ccc(OC)c(OC)c2)cc1OCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
PKM P14618 1/20 0.48
HTT P42858 1/20 0.48
PTPN7 P35236 1/20 0.47
PTPN12 Q05209 1/20 0.47
PTPN22 Q9Y2R2 1/20 0.47
PDE4A P27815 5/20 0.46
PDE4B Q07343 5/20 0.46
PDE4C Q08493 5/20 0.46
PDE4D Q08499 5/20 0.46
MEN1 O00255 2/20 0.45
HPGD P15428 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
RECQL P46063 1/20 0.45
HIF1A Q16665 1/20 0.45
EGFR P00533 1/20 0.45
PDGFRB P09619 1/20 0.45
PDGFRA P16234 1/20 0.45

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
SCHEMBL14722949 1.00 ALDH1A1 (0.48) ALDH1A1PKMHTTPTPN7PTPN12
SCHEMBL14734626 0.99 PTPN7 (0.47) ALDH1A1PKMHTTPTPN7PTPN12
SCHEMBL2034913 0.95 PTPN7 (0.50) ALDH1A1PKMHTTPTPN7PTPN12
SCHEMBL15862415 0.95 PTPN7 (0.50) ALDH1A1PKMHTTPTPN7PTPN12
SCHEMBL4652441 0.95 PTPN7 (0.50) ALDH1A1PKMHTTPTPN7PTPN12
SCHEMBL4652572 0.95 PTPN7 (0.50) ALDH1A1PKMHTTPTPN7PTPN12
SCHEMBL15862416 0.95 PTPN7 (0.50) ALDH1A1PKMHTTPTPN7PTPN12
SCHEMBL2034911 0.95 PTPN7 (0.50) ALDH1A1PKMHTTPTPN7PTPN12
SCHEMBL4652445 0.95 PTPN7 (0.50) ALDH1A1PKMHTTPTPN7PTPN12
SCHEMBL4652573 0.95 PTPN7 (0.50) ALDH1A1PKMHTTPTPN7PTPN12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2748280-B1 PHOTOREACTIVE COMPOUNDS ROLIC AG (CH) 2016-11-30 EP disclosed
US-9366906-B2 Photoreactive compounds ROLIC AG (CH) 2016-06-14 US disclosed
US-20140192305-A1 PHOTOREACTIVE COMPOUNDS ROLIC AG (CH) 2014-07-10 US disclosed
EP-2748280-A1 PHOTOREACTIVE COMPOUNDS Rolic AG (CH) 2014-07-02 EP disclosed
WO-2013026691-A1 PHOTOREACTIVE COMPOUNDS ROLIC AG (CH) 2013-02-28 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-20140192305-A1 PHOTOREACTIVE COMPOUNDS PCNA, CRY1, CRY2 ALDH1A1 2806/4885PKM 2805/4885HTT 886/4885

“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.