SCHEMBL4652441

SCHEMBL4652441

C=C(C)C(=O)OCCCCCCCCCCCOc1ccc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 1/20 0.50
PTPN12 Q05209 1/20 0.50
PTPN22 Q9Y2R2 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
RECQL P46063 1/20 0.48
HIF1A Q16665 1/20 0.48
EGFR P00533 1/20 0.48
PDGFRB P09619 1/20 0.48
PDGFRA P16234 1/20 0.48
ALDH1A1 P00352 3/20 0.47
HTT P42858 2/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 2/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP1A2 P05177 1/20 0.44
TUBB4A P04350 4/20 0.43
TUBB P07437 4/20 0.43

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
SCHEMBL4652572 1.00 PTPN7 (0.50) PTPN7PTPN12PTPN22SMN1; SMN2RECQL
SCHEMBL4652573 1.00 PTPN7 (0.50) PTPN7PTPN12PTPN22SMN1; SMN2RECQL
SCHEMBL15862415 1.00 PTPN7 (0.50) PTPN7PTPN12PTPN22SMN1; SMN2RECQL
SCHEMBL2034913 1.00 PTPN7 (0.50) PTPN7PTPN12PTPN22SMN1; SMN2RECQL
SCHEMBL2034911 1.00 PTPN7 (0.50) PTPN7PTPN12PTPN22SMN1; SMN2RECQL
SCHEMBL15862416 1.00 PTPN7 (0.50) PTPN7PTPN12PTPN22SMN1; SMN2RECQL
SCHEMBL4652445 1.00 PTPN7 (0.50) PTPN7PTPN12PTPN22SMN1; SMN2RECQL
SCHEMBL4651481 0.99 PTPN7 (0.51) PTPN7PTPN12PTPN22SMN1; SMN2RECQL
SCHEMBL4651477 0.99 PTPN7 (0.51) PTPN7PTPN12PTPN22SMN1; SMN2RECQL
SCHEMBL14722950 0.95 ALDH1A1 (0.48) PTPN7PTPN12PTPN22SMN1; SMN2RECQL

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
WO-2013026691-A1 PHOTOREACTIVE COMPOUNDS ROLIC AG (CH) 2013-02-28 WO disclosed
EP-1975687-A1 Method of uniform and defect free liquid crystal aligning layers Rolic AG (CH) 2008-10-01 EP 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.