SCHEMBL14722730

SCHEMBL14722730

N#C/C(=C\c1ccc2c(c1)OCO2)c1ccc(OCCCCCCCCCCCO)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF20A O95235 1/20 0.47
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
KDM4E B2RXH2 5/20 0.43
KMT2A Q03164 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 3/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
MAOB P27338 3/20 0.41
HPGD P15428 2/20 0.39
ALDH1A1 P00352 2/20 0.39
NQO2 P16083 1/20 0.39
NPC1 O15118 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL14722884 1.00 KIF20A (0.47) KIF20ACRHBPCRHR2KDM4EKMT2A
SCHEMBL14723023 0.94 CASP3 (0.43) KIF20AKDM4EKMT2ARAB9AMAPT
SCHEMBL14723286 0.94 KIF20A (0.43) KIF20ACRHBPCRHR2KDM4EKMT2A
SCHEMBL14722497 0.94 KIF20A (0.43) KIF20ACRHBPCRHR2KDM4EKMT2A
SCHEMBL14723021 0.94 CASP3 (0.43) KIF20AKDM4EKMT2ARAB9AMAPT
SCHEMBL15869811 0.86 KIF20A (0.47) KIF20ACRHBPCRHR2KDM4EKMT2A
SCHEMBL14723018 0.85 ALDH1A1 (0.40) KIF20AKDM4EKMT2ATDP1MAPT
SCHEMBL14723017 0.85 ALDH1A1 (0.40) KIF20AKDM4EKMT2ATDP1MAPT
SCHEMBL14722554 0.84 KMT2A (0.43) KIF20ACRHBPCRHR2KDM4EKMT2A
SCHEMBL15862197 0.84 KMT2A (0.43) KIF20ACRHBPCRHR2KDM4EKMT2A

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 10 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-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
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 KIF20A 727/4885CRHBP 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.