SCHEMBL4403514

SCHEMBL4403514

O=C(CCCCCO)Nc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 19/20 0.74
HDAC6 Q9UBN7 18/20 0.74
HDAC2 Q92769 18/20 0.74
HDAC4 P56524 17/20 0.74
HDAC1 Q13547 17/20 0.74
HDAC7 Q8WUI4 17/20 0.74
HDAC11 Q96DB2 17/20 0.74
HDAC9 Q9UKV0 17/20 0.74
HDAC5 Q9UQL6 17/20 0.74
HDAC3 O15379 16/20 0.74
HDAC10 Q969S8 16/20 0.74
NCOR1 O75376 2/20 0.74
NCOR2 Q9Y618 2/20 0.74
KDM4E B2RXH2 1/20 0.74
BRD4 O60885 1/20 0.74
NR1I2 O75469 1/20 0.74
EGFR P00533 1/20 0.74
CYP3A4 P08684 1/20 0.74
LTA4H P09960 1/20 0.74
NR0B1 P51843 1/20 0.74

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
SCHEMBL10659812 1.00 HDAC8 (0.74) HDAC8HDAC6HDAC2HDAC4HDAC1
SCHEMBL1162572 1.00 HDAC8 (0.74) HDAC8HDAC6HDAC2HDAC4HDAC1
SCHEMBL7563467 1.00 HDAC8 (0.74) HDAC8HDAC6HDAC2HDAC4HDAC1
SCHEMBL7837980 0.98 HDAC8 (0.71) HDAC8HDAC6HDAC2HDAC4HDAC1
SCHEMBL22661266 0.93 HDAC8 (0.66) HDAC8HDAC6HDAC2HDAC4HDAC1
SCHEMBL22661249 0.93 HDAC8 (0.66) HDAC8HDAC6HDAC2HDAC4HDAC1
SCHEMBL4594453 0.92 HDAC8 (0.68) HDAC8HDAC6HDAC2HDAC4HDAC1
SCHEMBL1065393 0.92 HDAC4 (0.85) HDAC8HDAC6HDAC2HDAC4HDAC1
SCHEMBL6669511 0.92 HDAC4 (0.85) HDAC8HDAC6HDAC2HDAC4HDAC1
SCHEMBL137348 0.92 HDAC4 (0.85) HDAC8HDAC6HDAC2HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7632911-B2 Liquid modified diphenylmethane diisocyanates BAYER MATERIALSCIENCE LLC (US) 2009-12-15 US claimed
WO-2008060411-A2 NEW LIQUID MODIFIED DIPHENYLMETHANE DIISOCYANATES BAYER MATERIALSCIENCE LLC (US) 2008-05-22 WO claimed
US-20080114186-A1 New liquid modified diphenylmetilane diisocyanates BAYER MATERIALSCIENCE LLC 2008-05-15 US claimed
US-7632911-B2 Liquid modified diphenylmethane diisocyanates BAYER MATERIALSCIENCE LLC (US) 2009-12-15 US disclosed
WO-2008060411-A2 NEW LIQUID MODIFIED DIPHENYLMETHANE DIISOCYANATES BAYER MATERIALSCIENCE LLC (US) 2008-05-22 WO disclosed
US-20080114186-A1 New liquid modified diphenylmetilane diisocyanates BAYER MATERIALSCIENCE LLC 2008-05-15 US disclosed
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 (3 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 HDAC8 9/4885HDAC6 11/4885HDAC2 7/4885
US-20020177594-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC3 HDAC8 11/4885HDAC6 7/4885HDAC2 4/4885
US-20080114186-A1 New liquid modified diphenylmetilane diisocyanates DDT, DIMT1, QDPR HDAC8 3183/4885HDAC6 3556/4885HDAC2 2124/4885

“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.