SCHEMBL536315

SCHEMBL536315

CCC(=O)On1ncc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.45
POLB P06746 3/20 0.44
HSD17B10 Q99714 3/20 0.44
TSHR P16473 2/20 0.44
ASAH1 Q13510 2/20 0.44
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
RECQL P46063 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ELANE P08246 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC6A2 P23975 2/20 0.38
SLC22A12 Q96S37 1/20 0.38
GLA P06280 1/20 0.38
ALDH1A1 P00352 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL27642117 0.88 KMO (0.47) KMOPOLBHSD17B10TSHRASAH1
SCHEMBL19543170 0.85 KMO (0.44) KMOPOLBHSD17B10TSHRASAH1
SCHEMBL2029059 0.83 KMO (0.44) KMOPOLBHSD17B10TSHRASAH1
SCHEMBL1162916 0.83 KMO (0.46) KMOPOLBHSD17B10TSHRASAH1
SCHEMBL19543177 0.83 KMO (0.43) KMOPOLBHSD17B10TSHRASAH1
SCHEMBL19543175 0.81 KMO (0.41) KMOPOLBHSD17B10TSHRASAH1
SCHEMBL1854888 0.80 KMO (0.44) KMOPOLBHSD17B10TSHRASAH1
SCHEMBL19543176 0.80 KMO (0.40) KMOPOLBHSD17B10TSHRASAH1
SCHEMBL19543121 0.79 KMO (0.41) KMOPOLBHSD17B10TSHRASAH1
SCHEMBL27664784 0.79 KMO (0.41) KMOPOLBHSD17B10TSHRASAH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170312363-A1 MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2017-11-02 US disclosed
WO-2014047662-A2 INDAZOLE DERIVATIVES AND USES THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2014-03-27 WO disclosed
EP-2414375-A1 NOVEL AMIDE DERIVATIVES OF STEROIDALÝ3,2-C¨PYRAZOLE COMPOUNDS WITH GLUCOCORTICOID ACTIVITY AstraZeneca AB (SE) 2012-02-08 EP disclosed
WO-2010114471-A1 NOVEL AMIDE DERIVATIVES OF STEROIDAL[3,2-C]PYRAZOLE COMPOUNDS WITH GLUCOCORTICOID ACTIVITY ASTRAZENECA AB (SE) 2010-10-07 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-20170312363-A1 MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR HDGF, F11, F12 KMO 4283/4885POLB 1298/4885HSD17B10 1914/4885

“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.