SCHEMBL15869766

SCHEMBL15869766

N#C/C(=C\c1ccc2c(c1)OCC2)c1ccc(OCCCCCCCCCCCO)c(CO)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF20A O95235 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
MEN1 O00255 2/20 0.33
HPGD P15428 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HSD11B1 P28845 1/20 0.32
RECQL P46063 1/20 0.32
HIF1A Q16665 1/20 0.32
EGFR P00533 1/20 0.32
PDGFRB P09619 1/20 0.32
PDGFRA P16234 1/20 0.32
MMP1 P03956 1/20 0.32
PTPN7 P35236 4/20 0.32
PTPN12 Q05209 4/20 0.32
PTPN22 Q9Y2R2 4/20 0.32

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
SCHEMBL15869798 0.90 KIF20A (0.42) KIF20ATDP1MEN1HPGDKMT2A
SCHEMBL14723321 0.88 PTPN7 (0.41) MEN1HPGDKMT2ASMN1; SMN2MAPT
SCHEMBL14723465 0.88 PTPN7 (0.41) MEN1HPGDKMT2ASMN1; SMN2MAPT
SCHEMBL15869788 0.87 TDP1 (0.36) TDP1MEN1HPGDKMT2ASMN1; SMN2
SCHEMBL15869811 0.87 KIF20A (0.47) KIF20ATDP1MEN1HPGDKMT2A
SCHEMBL14723017 0.86 ALDH1A1 (0.40) KIF20ATDP1MEN1HPGDKMT2A
SCHEMBL14723018 0.86 ALDH1A1 (0.40) KIF20ATDP1MEN1HPGDKMT2A
SCHEMBL15869814 0.83 KIF20A (0.45) KIF20ATDP1MEN1HPGDKMT2A
SCHEMBL14722462 0.78 MAPT (0.46) MEN1HPGDKMT2ASMN1; SMN2MAPT
SCHEMBL15862511 0.78 MAPT (0.46) MEN1HPGDKMT2ASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 KIF20A 727/4885TDP1 1806/4885MEN1 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.