SCHEMBL2808340

SCHEMBL2808340

C=CCCCCC[C@H](NC(=O)OC1CCCC1)C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.49
HDAC1 Q13547 2/20 0.49
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
EPHX1 P07099 2/20 0.38
USP2 O75604 2/20 0.37
CYP3A4 P08684 2/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.37
HDAC6 Q9UBN7 1/20 0.35
CASP1 P29466 1/20 0.34
NAAA Q02083 2/20 0.33
CACNA1B Q00975 2/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL2808344 1.00 HDAC4 (0.49) HDAC4HDAC1ALDH1A1LMNAEPHX1
SCHEMBL8158076 0.91 HDAC4 (0.47) HDAC4HDAC1ALDH1A1LMNAEPHX1
SCHEMBL2807897 0.89 HDAC4 (0.50) HDAC4HDAC1EPHX1CYP3A4SMN1; SMN2
SCHEMBL2807900 0.89 HDAC4 (0.50) HDAC4HDAC1EPHX1CYP3A4SMN1; SMN2
SCHEMBL1445009 0.88 HDAC4 (0.51) HDAC4HDAC1ALDH1A1LMNAEPHX1
SCHEMBL2812234 0.88 HDAC4 (0.51) HDAC4HDAC1ALDH1A1LMNAEPHX1
SCHEMBL4257798 0.86 HDAC4 (0.49) HDAC4HDAC1LMNAEPHX1SMN1; SMN2
SCHEMBL4257792 0.86 HDAC4 (0.49) HDAC4HDAC1LMNAEPHX1SMN1; SMN2
SCHEMBL4436769 0.85 HDAC4 (0.53) HDAC4HDAC1EPHX1HDAC6NAAA
SCHEMBL2807876 0.85 HDAC4 (0.53) HDAC4HDAC1EPHX1CYP3A4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240638-A1 Organic Compounds and their uses NOVARTIS AG (CH) 2010-09-23 US disclosed
US-20100240638-A1 Organic Compounds and their uses NOVARTIS AG (CH) 2010-09-23 US disclosed
US-20100240638-A1 Organic Compounds and their uses NOVARTIS AG (CH) 2010-09-23 US disclosed
EP-2125757-A1 MACROCYCLIC COMPOUNDS AS HCV NS3 PROTEASE INHIBITORS Novartis AG (CH) 2009-12-02 EP disclosed
WO-2008101665-A1 MACROCYCLIC COMPOUNDS AS HCV NS3 PROTEASE INHIBITORS NOVARTIS AG (CH) 2008-08-28 WO disclosed
WO-2008101665-A1 MACROCYCLIC COMPOUNDS AS HCV NS3 PROTEASE INHIBITORS NOVARTIS AG (CH) 2008-08-28 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-20100240638-A1 Organic Compounds and their uses OAT, HAVCR2, CYP3A43 HDAC4 2827/4885HDAC1 1161/4885ALDH1A1 302/4885

“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.