SCHEMBL6312831

SCHEMBL6312831

CC([NH])C(=O)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.35
HSD11B1 P28845 2/20 0.34
GAA P10253 1/20 0.34
EPHX1 P07099 2/20 0.33
NOS2 P35228 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL16674533 0.80 CES2 (0.50) CES2CES1HDAC8HDAC6TSHR
SCHEMBL1228934 0.80 CES2 (0.50) CES2CES1HDAC8HDAC6TSHR
SCHEMBL11714520 0.80 CES2 (0.50) CES2CES1HDAC8HDAC6TSHR
SCHEMBL2600359 0.80 CES2 (0.50) CES2CES1HDAC8HDAC6TSHR
SCHEMBL5788863 0.78 CES2 (0.48) CES2CES1HDAC8HDAC6TSHR
SCHEMBL14490223 0.78 CES2 (0.48) CES2CES1HDAC8HDAC6TSHR
SCHEMBL1911562 0.77 CES2 (0.46) CES2CES1HDAC8HDAC6TSHR
SCHEMBL6312834 0.76 CES2 (0.46) CES2CES1HDAC8HDAC6TSHR
SCHEMBL17465187 0.76 CES2 (0.46) CES2CES1HDAC8HDAC6TSHR
SCHEMBL21445109 0.76 CES2 (0.46) CES2CES1HDAC8HDAC6TSHR

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-20050014810-A1 Use of substituted 2 phenylbenzimidazoles as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-01-20 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-20050014810-A1 Use of substituted 2 phenylbenzimidazoles as medicaments GLP1R, GIPR, GCGR CES2 2091/4885CES1 822/4885HDAC8 944/4885

“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.