SCHEMBL14723241

SCHEMBL14723241

C=C(C)C(=O)OCCCCCCOc1ccc(C=C(C#N)c2ccc3c(c2)OCO3)cc1OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.48
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
KMT2A Q03164 10/20 0.44
MEN1 O00255 7/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 1/20 0.44
PKM P14618 1/20 0.39
HTT P42858 3/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
MAPT P10636 2/20 0.37
MAPK1 P28482 2/20 0.37
LMNA P02545 1/20 0.37
MITF O75030 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PTPN7 P35236 1/20 0.37
PTPN12 Q05209 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
SCHEMBL15862471 1.00 TDP1 (0.48) TDP1CRHBPCRHR2KMT2AMEN1
SCHEMBL15862473 1.00 TDP1 (0.48) TDP1CRHBPCRHR2KMT2AMEN1
SCHEMBL14723240 1.00 TDP1 (0.48) TDP1CRHBPCRHR2KMT2AMEN1
SCHEMBL14722270 0.93 PTPN7 (0.44) TDP1CRHBPCRHR2KMT2AMEN1
SCHEMBL15862122 0.93 PTPN7 (0.44) TDP1CRHBPCRHR2KMT2AMEN1
SCHEMBL14722269 0.93 PTPN7 (0.44) TDP1CRHBPCRHR2KMT2AMEN1
SCHEMBL15862121 0.93 PTPN7 (0.44) TDP1CRHBPCRHR2KMT2AMEN1
SCHEMBL14722324 0.93 PTPN7 (0.44) TDP1CRHBPCRHR2KMT2AMEN1
SCHEMBL14722323 0.93 PTPN7 (0.44) TDP1CRHBPCRHR2KMT2AMEN1
SCHEMBL15862388 0.89 CRHBP (0.46) TDP1CRHBPCRHR2KMT2AMEN1

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 TDP1 1806/4885CRHBP 3646/4885CRHR2 4262/4885

“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.