SCHEMBL14723286

SCHEMBL14723286

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF20A O95235 1/20 0.43
RAB9A P51151 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 3/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAOB P27338 4/20 0.41
TP53 P04637 1/20 0.40
PTPN7 P35236 1/20 0.40
PTPN12 Q05209 1/20 0.40
PTPN22 Q9Y2R2 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
PKM P14618 1/20 0.39
MAOA P21397 1/20 0.38

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
SCHEMBL14722497 1.00 KIF20A (0.43) KIF20ARAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL14722884 0.94 KIF20A (0.47) KIF20ARAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL14722730 0.94 KIF20A (0.47) KIF20ARAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL14723021 0.87 CASP3 (0.43) KIF20ARAB9ANPC1KDM4EMAPT
SCHEMBL14723023 0.87 CASP3 (0.43) KIF20ARAB9ANPC1KDM4EMAPT
SCHEMBL15869814 0.86 KIF20A (0.45) KIF20ARAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL14722549 0.84 PTPN7 (0.45) KIF20ARAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL14722331 0.84 PTPN7 (0.45) KIF20ARAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL15862476 0.84 PTPN7 (0.45) KIF20ARAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL14722329 0.84 PTPN7 (0.45) KIF20ARAB9ASMN1; SMN2KDM4EMAPT

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 727/4885RAB9A 1182/4885SMN1; SMN2 4869/4885

“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.