SCHEMBL2882035

SCHEMBL2882035

CCCN(Cc1ccc(CCO)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.48
HDAC3 O15379 3/20 0.48
HDAC2 Q92769 3/20 0.48
NCOR2 Q9Y618 3/20 0.48
SSTR4 P31391 1/20 0.44
PPARA Q07869 2/20 0.41
CYP4F2 P78329 2/20 0.40
CYP4A11 Q02928 2/20 0.40
HDAC6 Q9UBN7 2/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
AGTR1 P30556 1/20 0.36
AGTR2 P50052 1/20 0.36

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
SCHEMBL1798901 0.86 HDAC1 (0.52) HDAC1HDAC3HDAC2NCOR2SSTR4
SCHEMBL1800104 0.86 HDAC1 (0.44) HDAC1HDAC3HDAC2NCOR2SSTR4
SCHEMBL1799805 0.85 HDAC1 (0.51) HDAC1HDAC3HDAC2NCOR2HDAC6
SCHEMBL17393769 0.84 HDAC1 (0.49) HDAC1HDAC3HDAC2NCOR2SSTR4
SCHEMBL3141997 0.84 HDAC1 (0.49) HDAC1HDAC3HDAC2NCOR2SSTR4
SCHEMBL9060170 0.84 HDAC1 (0.60) HDAC1HDAC3HDAC2NCOR2HDAC6
SCHEMBL9295963 0.84 HDAC1 (0.46) HDAC1HDAC3HDAC2NCOR2SSTR4
SCHEMBL9295960 0.82 HDAC1 (0.47) HDAC1HDAC3HDAC2NCOR2SSTR4
SCHEMBL7655742 0.82 HDAC1 (0.47) HDAC1HDAC3HDAC2NCOR2SSTR4
SCHEMBL1802560 0.81 SSTR4 (0.43) HDAC1HDAC3HDAC2NCOR2SSTR4

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-20100216758-A1 Pyridone Compounds MSD K.K. (JP) 2010-08-26 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-20100216758-A1 Pyridone Compounds NPY1R, MC5R, MC1R HDAC1 2591/4885HDAC3 2133/4885HDAC2 3451/4885

“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.