SCHEMBL10241686

SCHEMBL10241686

CCCC(CCC)C(=O)Oc1ccc(C[C@H](NC)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.46
HDAC4 P56524 3/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC2 Q92769 3/20 0.46
HDAC8 Q9BY41 3/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
TACR1 P25103 1/20 0.44
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
S1PR1 P21453 1/20 0.42
LTA4H P09960 2/20 0.42
LAP3 P28838 1/20 0.42
MME P08473 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ANPEP P15144 1/20 0.42
PPARG P37231 2/20 0.41

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
SCHEMBL16301413 0.89 CTSK (0.52) HDAC8TACR1MEN1KMT2AITGB3
SCHEMBL2059140 0.83 TACR1 (0.58) TACR1POLBMAPTS1PR1ACE
SCHEMBL13108402 0.83 TACR1 (0.58) TACR1POLBMAPTS1PR1ACE
SCHEMBL16116809 0.82 GAA (0.58) TACR1MMP9MMP8MAPTS1PR1
SCHEMBL23901567 0.82 LTA4H (0.61) MMP9MMP8LTA4HLAP3MME
SCHEMBL10241673 0.82 CA1 (0.51) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL16063577 0.82 ATM (0.53) HDAC8TACR1LTA4HKMT2APPARG
SCHEMBL12869907 0.80 TACR1 (0.53) TACR1POLBMAPTS1PR1MME
SCHEMBL10241678 0.80 TACR1 (0.53) TACR1POLBMAPTS1PR1MME
SCHEMBL25645317 0.80 CTSK (0.52) CA1CA2TACR1POLBMAPT

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-20120289471-A1 NOVEL COMPOUNDS WITH HIGH THERAPEUTIC INDEX SIGNATURE R&D HOLDINGS, LLC (US) 2012-11-15 US disclosed
US-8173840-B2 Compounds with high therapeutic index SIGNATURE R&D HOLDINGS, LLC (US) 2012-05-08 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 (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-20120289471-A1 NOVEL COMPOUNDS WITH HIGH THERAPEUTIC INDEX IL4I1, SLC7A1, GOT1 HDAC3 1203/4885HDAC4 934/4885HDAC1 864/4885

“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.