SCHEMBL17354795

SCHEMBL17354795

Cc1cnnn1C[C@@H](C)O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CBLB Q13191 3/20 0.36
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.36
LMNA P02545 3/20 0.33
KDM4E B2RXH2 2/20 0.33
CSNK2A1 P68400 3/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
APAF1 O14727 1/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
PTGS2 P35354 3/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PTGS1 P23219 1/20 0.30

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
SCHEMBL18900795 1.00 CBLB (0.36) CBLBMAPK1ATMLMNAKDM4E
SCHEMBL18806993 0.68 MAPK1 (0.49) CBLBMAPK1ATMLMNAKDM4E
SCHEMBL18806998 0.68 MAPK1 (0.36) MAPK1ATMLMNAKDM4ECSNK2A1
SCHEMBL31030362 0.68 MAPK1 (0.49) CBLBMAPK1ATMLMNAKDM4E
SCHEMBL14578729 0.68 LMNA (0.64) LMNAKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL24884396 0.68 LMNA (0.64) LMNAKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL12126327 0.67
SCHEMBL23989422 0.67
SCHEMBL2101508 0.67 LMNA (0.32) MAPK1ATMLMNAKDM4ECSNK2A1
SCHEMBL2099315 0.67 LMNA (0.32) MAPK1ATMLMNAKDM4ECSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170120163-A1 SEPARATION MATERIAL COMPRISING PHOSPHORYL CHOLINE DERIVATIVES PENTRACOR GMBH (DE) 2017-05-04 US disclosed
EP-2957563-A1 Separation material comprising phosphoryl choline derivatives Pentracor GmbH (DE) 2015-12-23 EP disclosed
WO-2015193504-A1 SEPARATION MATERIAL COMPRISING PHOSPHORYL CHOLINE DERIVATIVES PENTRACOR GMBH (DE) 2015-12-23 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-20170120163-A1 SEPARATION MATERIAL COMPRISING PHOSPHORYL CHOLINE DERIVATIVES CHKA, PHOSPHO1, C3AR1 CBLB 2846/4885MAPK1 1343/4885ATM 1053/4885

“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.