SCHEMBL5496986

SCHEMBL5496986

CCCC(C(=O)OCC)c1ccc(OCC)c(OCC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.46
PAX8 Q06710 1/20 0.46
NPSR1 Q6W5P4 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TNF P01375 1/20 0.43
TAS1R3 Q7RTX0 2/20 0.41
TAS1R1 Q7RTX1 2/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 2/20 0.41
TDP1 Q9NUW8 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.39
GLA P06280 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL6627302 0.87 NPSR1 (0.48) LMNAALDH1A1PAX8NPSR1SMN1; SMN2
SCHEMBL2416106 0.82 SMPD1 (0.43) LMNAALDH1A1MEN1KMT2ATDP1
SCHEMBL1883214 0.81 MAPT (0.45) ALDH1A1PAX8NPSR1SMN1; SMN2MEN1
SCHEMBL17179845 0.80 HSD17B2 (0.54) LMNAALDH1A1NPSR1MEN1KMT2A
SCHEMBL7099632 0.79 PAX8 (0.46) LMNAALDH1A1PAX8NPSR1SMN1; SMN2
SCHEMBL6612965 0.78 AKR1C3 (0.55) LMNAALDH1A1PAX8NPSR1SMN1; SMN2
SCHEMBL5437289 0.78 PAX8 (0.55) LMNAALDH1A1PAX8NPSR1SMN1; SMN2
SCHEMBL13980904 0.78 MEN1 (0.47) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2416682 0.77 PPARA (0.41) MAPK1L3MBTL1
SCHEMBL6055250 0.76 PDE4D (0.49) LMNAALDH1A1NPSR1SMN1; SMN2TNF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7250410-B2 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof VIA PHARMACEUTICALS, INC. (US) 2007-07-31 US disclosed
US-20040152888-A1 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof BAY CITY CAPITAL LLC 2004-08-05 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-20040152888-A1 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof PDE7A, PDE3B, PDE3A LMNA 1410/4885ALDH1A1 395/4885PAX8 4417/4885

“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.