SCHEMBL5130352

SCHEMBL5130352

COC(=O)CCCCCCC1(C)OCCO1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.41
KMT2A Q03164 1/20 0.41
HPGD P15428 1/20 0.40
PABPC1 P11940 1/20 0.40
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
EPHX2 P34913 4/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL1707150 0.98 TSHR (0.48) TSHRLMNAALDH1A1GLAKMT2A
SCHEMBL9258891 0.93 TSHR (0.50) TSHRLMNAALDH1A1GLAKMT2A
SCHEMBL7847493 0.85 TSHR (0.46) TSHRLMNAALDH1A1GLAKMT2A
SCHEMBL5124190 0.80 TSHR (0.46) TSHRLMNAALDH1A1KMT2A
SCHEMBL23310436 0.79 TSHR (0.47) TSHRLMNAALDH1A1GLAKMT2A
SCHEMBL12192693 0.79 POLB (0.44) TSHRLMNAALDH1A1EPHX2
SCHEMBL1705915 0.78 LMNA (0.44) TSHRLMNAALDH1A1KMT2A
SCHEMBL2368778 0.78
SCHEMBL7821387 0.77 MGAM (0.39) TSHRLMNAGLA
SCHEMBL1600798 0.76 CYP1A2 (0.47) TSHRLMNAALDH1A1EPHX2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221157-A1 Amide Derivatives as Inhibitors of Histone Deacetylase ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGE (IT) 2008-09-11 US disclosed
EP-1768955-A1 AMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2007-04-04 EP disclosed
WO-2006005941-A1 AMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI S.P.A. (IT) 2006-01-19 WO 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-20080221157-A1 Amide Derivatives as Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC4 TSHR 1616/4885LMNA 3085/4885ALDH1A1 286/4885

“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.