SCHEMBL7370496

SCHEMBL7370496

O=C(O)CCCCCC1OCCO1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.52
LMNA P02545 4/20 0.52
PMP22 Q01453 2/20 0.52
NFKB1 P19838 1/20 0.52
GPR84 Q9NQS5 6/20 0.44
FFAR1 O14842 2/20 0.44
FFAR4 Q5NUL3 2/20 0.44
ALOX5 P09917 1/20 0.44
PPARG P37231 6/20 0.43
PPARD Q03181 6/20 0.43
PPARA Q07869 6/20 0.43
HDAC11 Q96DB2 5/20 0.43
ALDH1A1 P00352 4/20 0.43
TDP1 Q9NUW8 3/20 0.43
HSD17B10 Q99714 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TLR2 O60603 2/20 0.43
FABP4 P15090 2/20 0.43
ALOX15 P16050 2/20 0.43

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
SCHEMBL3756234 1.00 TSHR (0.52) TSHRLMNAPMP22NFKB1GPR84
SCHEMBL19783687 1.00 TSHR (0.52) TSHRLMNAPMP22NFKB1GPR84
SCHEMBL5668522 0.98 LMNA (0.50) TSHRLMNAPMP22NFKB1GPR84
SCHEMBL10334572 0.91 LMNA (0.46) TSHRLMNAPMP22NFKB1GPR84
SCHEMBL3681566 0.83 TSHR (0.52) TSHRLMNAPMP22NFKB1GPR84
SCHEMBL5101571 0.83 LMNA (0.42) TSHRLMNAPMP22NFKB1GPR84
SCHEMBL28510669 0.83 TSHR (0.52) TSHRLMNAPMP22NFKB1GPR84
SCHEMBL5184107 0.83 TSHR (0.52) TSHRLMNAPMP22NFKB1GPR84
SCHEMBL2211224 0.83 TSHR (0.52) TSHRLMNAPMP22NFKB1GPR84
SCHEMBL16330820 0.83 TSHR (0.52) TSHRLMNAPMP22NFKB1GPR84

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-20020177594-A1 Inhibitors of histone deacetylase ABBOTT LABORATORIES 2002-11-28 US disclosed
US-20020103192-A1 Inhibitors of histone deacetylase ABBOTT LABORATORIES 2002-08-01 US disclosed
WO-2002046129-A2 INHIBITORS OF HISTONE DEACETYLASE ABBOTT LABORATORIES (US) 2002-06-13 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 (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-20020103192-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC4 TSHR 3992/4885LMNA 1705/4885PMP22 3319/4885
US-20020177594-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC3 TSHR 3746/4885LMNA 1033/4885PMP22 3974/4885

“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.