SCHEMBL14734654

SCHEMBL14734654

CCOc1cc(/C=C(\C#N)c2ccc3c(c2)OCO3)ccc1OCCCCCCCCCCCO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
KMT2A Q03164 7/20 0.45
MEN1 O00255 5/20 0.45
KDM4E B2RXH2 4/20 0.45
HPGD P15428 1/20 0.45
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
KIF20A O95235 1/20 0.41
PKM P14618 1/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 2/20 0.39
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
LMNA P02545 1/20 0.37
MITF O75030 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL14723179 1.00 TDP1 (0.49) TDP1KMT2AMEN1KDM4EHPGD
SCHEMBL14723176 1.00 TDP1 (0.49) TDP1KMT2AMEN1KDM4EHPGD
SCHEMBL14723070 1.00 TDP1 (0.49) TDP1KMT2AMEN1KDM4EHPGD
SCHEMBL14722493 0.92 PTPN7 (0.45) TDP1KMT2AMEN1KDM4EHPGD
SCHEMBL14722329 0.92 PTPN7 (0.45) TDP1KMT2AMEN1KDM4EHPGD
SCHEMBL15862476 0.92 PTPN7 (0.45) TDP1KMT2AMEN1KDM4EHPGD
SCHEMBL14722494 0.92 PTPN7 (0.45) TDP1KMT2AMEN1KDM4EHPGD
SCHEMBL14723343 0.92 PTPN7 (0.45) TDP1KMT2AMEN1KDM4EHPGD
SCHEMBL14722331 0.92 PTPN7 (0.45) TDP1KMT2AMEN1KDM4EHPGD
SCHEMBL14722549 0.92 PTPN7 (0.45) TDP1KMT2AMEN1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2748280-B1 PHOTOREACTIVE COMPOUNDS ROLIC AG (CH) 2016-11-30 EP disclosed
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-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
US-20140192305-A1 PHOTOREACTIVE COMPOUNDS ROLIC AG (CH) 2014-07-10 US 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 TDP1 1806/4885KMT2A 2475/4885MEN1 2468/4885

“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.