SCHEMBL3224880

SCHEMBL3224880

C1CCCC([C](C2CCCCCC2)C2CCCCCC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.53
CES1 P23141 1/20 0.53
MGLL Q99685 1/20 0.45
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
NOS2 P35228 2/20 0.42
TSHR P16473 4/20 0.41
ALDH1A1 P00352 3/20 0.41
HSD11B1 P28845 3/20 0.36
EPHX1 P07099 1/20 0.35
RECQL P46063 1/20 0.35
HSD17B10 Q99714 1/20 0.33
HSD11B2 P80365 1/20 0.33
MAPK1 P28482 1/20 0.32

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
SCHEMBL28990391 1.00 CES2 (0.53) CES2CES1MGLLHDAC8HDAC6
SCHEMBL1317993 1.00 CES2 (0.53) CES2CES1MGLLHDAC8HDAC6
SCHEMBL3227064 1.00 CES2 (0.53) CES2CES1MGLLHDAC8HDAC6
SCHEMBL3231716 1.00 CES2 (0.53) CES2CES1MGLLHDAC8HDAC6
SCHEMBL2531344 1.00 CES2 (0.53) CES2CES1MGLLHDAC8HDAC6
SCHEMBL6250105 0.96 CES2 (0.50) CES2CES1MGLLHDAC8HDAC6
SCHEMBL3233671 0.96 CES2 (0.47) CES2CES1MGLLHDAC8HDAC6
SCHEMBL15911101 0.87 NOS2 (0.44) CES2CES1MGLLHDAC8HDAC6
SCHEMBL10482505 0.77 NOS2 (0.38) NOS2
SCHEMBL15703282 0.75 CES2 (0.53) CES2CES1MGLLHDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11352453-B2 Catalyst for olefin polymerization and production method for polar group-containing olefin-based polymers THE UNIVERSITY OF TOKYO (JP) 2022-06-07 US disclosed
US-20200347159-A1 CATALYST FOR OLEFIN POLYMERIZATION AND PRODUCTION METHOD FOR POLAR GROUP-CONTAINING OLEFIN-BASED POLYMERS THE UNIVERSITY OF TOKYO (JP) 2020-11-05 US disclosed
EP-3708593-A1 CATALYST FOR OLEFIN POLYMERIZATION AND PRODUCTION METHOD FOR POLAR GROUP-CONTAINING OLEFIN-BASED POLYMERS The University Of Tokyo (JP) 2020-09-16 EP disclosed
WO-2010009752-A1 CURABLE SILICONE COMPOSITIONS COMPRISING CYCLO-ALKYLPHOSPHITES MOMENTIVE PERFORMANCE MATERIALS GMBH (DE) 2010-01-28 WO disclosed
US-4738983-A Ethylenediamine and guanidine-derivatives DEGUSSA AKTIENGESELLSCHAFT (DE) 1988-04-19 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 (2 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-20200347159-A1 CATALYST FOR OLEFIN POLYMERIZATION AND PRODUCTION METHOD FOR POLAR GROUP-CONTAINING OLEFIN-BASED POLYMERS POF1B, COG1, ACOX1 CES2 1942/4885CES1 1209/4885MGLL 767/4885
US-11352453-B2 Catalyst for olefin polymerization and production method for polar group-containing olefin-based polymers POF1B, COG1, ACOX1 CES2 1942/4885CES1 1209/4885MGLL 767/4885

“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.