SCHEMBL3052306

SCHEMBL3052306

O=C(O)CCCc1ccc(Sc2ccccc2O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.57
MAPK1 P28482 1/20 0.57
ADRA1A P35348 1/20 0.57
HDAC4 P56524 1/20 0.57
SLC6A3 Q01959 1/20 0.57
HDAC1 Q13547 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
HDAC9 Q9UKV0 1/20 0.57
HDAC5 Q9UQL6 1/20 0.57
FFAR1 O14842 6/20 0.51
MAPT P10636 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
CYP1A2 P05177 2/20 0.48
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL315303 0.84 HDAC1 (0.69) HDAC3MAPK1ADRA1AHDAC4SLC6A3
SCHEMBL6540023 0.78 L3MBTL1 (0.51) HDAC1HDAC6TSHR
Phenylbutanoic Acid SCHEMBL21219015 0.75 HDAC1 (1.00) HDAC3MAPK1ADRA1AHDAC4SLC6A3
Phenylbutanoic Acid SCHEMBL1021513 0.75 HDAC1 (1.00) HDAC3MAPK1ADRA1AHDAC4SLC6A3
Phenylbutanoic Acid SCHEMBL1716 0.75 HDAC1 (1.00) HDAC3MAPK1ADRA1AHDAC4SLC6A3
SCHEMBL6208836 0.75 SMN1; SMN2 (0.82) HDAC3MAPK1ADRA1AHDAC4SLC6A3
SCHEMBL417360 0.74 ALDH1A1 (0.62) HDAC3MAPK1ADRA1AHDAC4SLC6A3
SCHEMBL1697834 0.74 FFAR1 (0.68) HDAC3MAPK1ADRA1AHDAC4SLC6A3
5-Phenylvaleric Acid SCHEMBL11500420 0.74 MAPT (0.81) HDAC3MAPK1ADRA1AHDAC4SLC6A3
SCHEMBL13290714 0.74 HDAC3 (0.62) HDAC3MAPK1ADRA1AHDAC4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7744910-B2 Compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2010-06-29 US disclosed
US-7186414-B2 Compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC (US) 2007-03-06 US disclosed
US-20070010422-A1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2007-01-11 US disclosed
EP-1676832-A2 Compounds and compositions for delivering active agents Emisphere Technologies, Inc. (US) 2006-07-05 EP disclosed
US-6991798-B1 Compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2006-01-31 US disclosed
US-20050272638-A1 Compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2005-12-08 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-20070010422-A1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS SERPINB1, ELANE, MMP8 HDAC3 789/4885MAPK1 4522/4885ADRA1A 2614/4885
US-20050272638-A1 Compounds and compositions for delivering active agents SERPINB1, ELANE, MMP8 HDAC3 789/4885MAPK1 4522/4885ADRA1A 2614/4885

“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.