SCHEMBL14722269

SCHEMBL14722269

C=C(C)C(=O)OCCCCCCCCOc1ccc(/C=C(\C#N)c2ccc3c(c2)OCO3)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 1/20 0.44
PTPN12 Q05209 1/20 0.44
PTPN22 Q9Y2R2 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
MAPT P10636 6/20 0.43
ALDH1A1 P00352 5/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 1/20 0.43
NQO1 P15559 1/20 0.41
TSHR P16473 1/20 0.41
PKM P14618 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
RECQL P46063 1/20 0.40
HIF1A Q16665 1/20 0.40

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
SCHEMBL14722323 1.00 PTPN7 (0.44) PTPN7PTPN12PTPN22CRHBPCRHR2
SCHEMBL15862122 1.00 PTPN7 (0.44) PTPN7PTPN12PTPN22CRHBPCRHR2
SCHEMBL14722324 1.00 PTPN7 (0.44) PTPN7PTPN12PTPN22CRHBPCRHR2
SCHEMBL15862121 1.00 PTPN7 (0.44) PTPN7PTPN12PTPN22CRHBPCRHR2
SCHEMBL14722270 1.00 PTPN7 (0.44) PTPN7PTPN12PTPN22CRHBPCRHR2
SCHEMBL15862389 0.97 CRHBP (0.46) PTPN7PTPN12PTPN22CRHBPCRHR2
SCHEMBL15862388 0.97 CRHBP (0.46) PTPN7PTPN12PTPN22CRHBPCRHR2
SCHEMBL14723240 0.93 TDP1 (0.48) PTPN7PTPN12PTPN22CRHBPCRHR2
SCHEMBL14723241 0.93 TDP1 (0.48) PTPN7PTPN12PTPN22CRHBPCRHR2
SCHEMBL15862471 0.93 TDP1 (0.48) PTPN7PTPN12PTPN22CRHBPCRHR2

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 8 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
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 PTPN7 2421/4885PTPN12 2058/4885PTPN22 2462/4885

“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.