SCHEMBL10001149

SCHEMBL10001149

CCCCNC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.62
HPGD P15428 3/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
HDAC1 Q13547 2/20 0.56
HDAC8 Q9BY41 2/20 0.56
HDAC3 O15379 1/20 0.56
HDAC2 Q92769 1/20 0.56
NCOR2 Q9Y618 1/20 0.56
LMNA P02545 2/20 0.55
FFAR1 O14842 1/20 0.55
CYP1A2 P05177 1/20 0.55
RAB9A P51151 1/20 0.55
HIF1A Q16665 1/20 0.55
MMP2 P08253 3/20 0.55
MMP9 P14780 3/20 0.55
MMP8 P22894 3/20 0.55
MMP12 P39900 3/20 0.55
MMP14 P50281 3/20 0.55
POLB P06746 1/20 0.53
DRD2 P14416 1/20 0.53

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
SCHEMBL12031270 0.96 SMN1; SMN2 (0.60) SMN1; SMN2HPGDL3MBTL1HDAC1HDAC8
SCHEMBL7166265 0.91 ALDH1A1 (0.59) SMN1; SMN2HPGDL3MBTL1HDAC1LMNA
SCHEMBL4086405 0.88 HDAC1 (0.58) SMN1; SMN2HPGDL3MBTL1HDAC1HDAC8
SCHEMBL10031688 0.87 SMN1; SMN2 (0.54) SMN1; SMN2HPGDL3MBTL1HDAC1HDAC8
SCHEMBL312780 0.85 MMP2 (0.49) SMN1; SMN2HPGDL3MBTL1HDAC1HDAC8
Fenbufen Butanamine SCHEMBL313629 0.84 SMN1; SMN2 (0.54) SMN1; SMN2HPGDL3MBTL1HDAC1HDAC8
SCHEMBL15522836 0.82 THRA (0.51) SMN1; SMN2HPGDL3MBTL1LMNAMMP2
SCHEMBL8496423 0.82 ALDH1A1 (0.63) SMN1; SMN2HPGDL3MBTL1HDAC1LMNA
SCHEMBL6606979 0.81 L3MBTL1 (0.79) SMN1; SMN2HPGDL3MBTL1HDAC1HDAC8
SCHEMBL6360275 0.80 DRD2 (0.78) SMN1; SMN2L3MBTL1HDAC1HDAC8HDAC3

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-8093427-B2 Construction and screening of solution-phase derived library of fenbufen and ethacrynic acid NATIONAL TSING HUA UNIVERSITY (TW) 2012-01-10 US disclosed
US-8093427-B2 Construction and screening of solution-phase derived library of fenbufen and ethacrynic acid NATIONAL TSING HUA UNIVERSITY (TW) 2012-01-10 US disclosed
US-20110306668-A1 CONSTRUCTION AND SCREENING OF SOLUTION-PHASE DERIVED LIBRARY OF FENBUFEN AND ETHACRYNIC ACID NATIONAL TSING HUA UNIVERSITY (TW) 2011-12-15 US disclosed
US-20110306668-A1 CONSTRUCTION AND SCREENING OF SOLUTION-PHASE DERIVED LIBRARY OF FENBUFEN AND ETHACRYNIC ACID NATIONAL TSING HUA UNIVERSITY (TW) 2011-12-15 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-20110306668-A1 CONSTRUCTION AND SCREENING OF SOLUTION-PHASE DERIVED LIBRARY OF FENBUFEN AND ETHACRYNIC ACID CYP4F2, ACR, CYP4F3 SMN1; SMN2 2503/4885HPGD 1294/4885L3MBTL1 1012/4885

“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.