SCHEMBL14722331

SCHEMBL14722331

COc1cc(C=C(C#N)c2ccc3c(c2)OCO3)ccc1OCCCCCCCCO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 1/20 0.45
PTPN12 Q05209 1/20 0.45
PTPN22 Q9Y2R2 1/20 0.45
NQO1 P15559 1/20 0.44
MAPT P10636 5/20 0.44
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KMT2A Q03164 2/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 1/20 0.44
HSD17B10 Q99714 1/20 0.44
RECQL P46063 1/20 0.43
HIF1A Q16665 1/20 0.43
EGFR P00533 1/20 0.43
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
TUBB4A P04350 2/20 0.42
TUBB P07437 2/20 0.42
TUBA3C P0DPH7 2/20 0.42
TUBA1B P68363 2/20 0.42

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
SCHEMBL14723345 1.00 PTPN7 (0.45) PTPN7PTPN12PTPN22NQO1MAPT
SCHEMBL14722493 1.00 PTPN7 (0.45) PTPN7PTPN12PTPN22NQO1MAPT
SCHEMBL14722329 1.00 PTPN7 (0.45) PTPN7PTPN12PTPN22NQO1MAPT
SCHEMBL15862476 1.00 PTPN7 (0.45) PTPN7PTPN12PTPN22NQO1MAPT
SCHEMBL14722494 1.00 PTPN7 (0.45) PTPN7PTPN12PTPN22NQO1MAPT
SCHEMBL14722549 1.00 PTPN7 (0.45) PTPN7PTPN12PTPN22NQO1MAPT
SCHEMBL14723343 1.00 PTPN7 (0.45) PTPN7PTPN12PTPN22NQO1MAPT
SCHEMBL14722554 0.96 KMT2A (0.43) PTPN7PTPN12PTPN22MAPTALDH1A1
SCHEMBL15862197 0.96 KMT2A (0.43) PTPN7PTPN12PTPN22MAPTALDH1A1
SCHEMBL14723176 0.92 TDP1 (0.49) NQO1MAPTALDH1A1KMT2AHPGD

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 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.