SCHEMBL16640650

SCHEMBL16640650

CCC1O[C@@H](OCc2ccccc2)C(NC(C)=O)[C@@H](C)[C@@H]1O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 2/20 0.45
MAG P20916 1/20 0.42
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
HRAS P01112 1/20 0.41
MAPK1 P28482 1/20 0.40
SSTR5 P35346 2/20 0.39
SSTR1 P30872 1/20 0.39
SSTR2 P30874 1/20 0.39
SSTR4 P31391 1/20 0.39
SSTR3 P32745 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
SCHEMBL15143133 0.89 L3MBTL1 (0.50) L3MBTL1POLBMAGLMNAKMT2A
SCHEMBL15143128 0.86 L3MBTL1 (0.50) L3MBTL1POLBMAGLMNAKMT2A
SCHEMBL15480298 0.84 NAAA (0.38) POLBSSTR5SSTR1SSTR2SSTR4
SCHEMBL16640651 0.81 SLC6A2 (0.40) SSTR5SSTR1SSTR2SSTR4SSTR3
SCHEMBL7150281 0.81 POLB (0.50) L3MBTL1POLBMAGHRASMAPK1
SCHEMBL7150277 0.81 POLB (0.50) L3MBTL1POLBMAGHRASMAPK1
SCHEMBL14520980 0.81 MAPK1 (0.58) POLBKMT2AHRASMAPK1
SCHEMBL20643560 0.81 MAPK1 (0.58) POLBKMT2AHRASMAPK1
SCHEMBL21097246 0.81 MAPK1 (0.58) POLBKMT2AHRASMAPK1
SCHEMBL542635 0.81 MAPK1 (0.58) POLBKMT2AHRASMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150104479-A1 MENINGOCOCCUS SEROGROUP X CONJUGATE NOVARTIS AG (CH) 2015-04-16 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-20150104479-A1 MENINGOCOCCUS SEROGROUP X CONJUGATE O60361, MLEC, PDHX L3MBTL1 3101/4885POLB 2095/4885MAG 111/4885

“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.