SCHEMBL1628115

SCHEMBL1628115

O=C(O)C1(c2cccc(F)c2F)CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 8/20 0.54
ALDH1A1 P00352 3/20 0.41
LMNA P02545 3/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
AKR1C1 Q04828 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CES2 O00748 1/20 0.37
BCHE P06276 1/20 0.37
CES1 P23141 1/20 0.37
ELOVL1 Q9BW60 1/20 0.36
THRB P10828 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
SCHEMBL20242085 0.89 HDAC4 (0.61) HDAC4AKR1C1HDAC3HDAC1HDAC2
SCHEMBL1627778 0.87 HDAC4 (0.51) HDAC4ALDH1A1LMNATSHRNPSR1
SCHEMBL16111708 0.87 HDAC4 (0.69) HDAC4AKR1C1HDAC3HDAC1HDAC2
SCHEMBL28679746 0.83 ALDH1A1 (0.45) HDAC4ALDH1A1LMNATSHRNPSR1
SCHEMBL22833287 0.77 ALDH1A1 (0.38) ALDH1A1LMNATSHRNPSR1SMN1; SMN2
SCHEMBL1626800 0.76 HDAC4 (0.42) HDAC4ALDH1A1LMNATSHRNPSR1
SCHEMBL29237880 0.75 ALDH1A1 (0.44) ALDH1A1LMNATSHRNPSR1AKR1C1
SCHEMBL28688379 0.75 CNR1 (0.45) HDAC4ALDH1A1HDAC3HDAC1HDAC2
SCHEMBL31125559 0.74 HDAC4 (0.59) HDAC4AKR1C1ELOVL1
SCHEMBL301133 0.74 HDAC4 (0.59) HDAC4AKR1C1ELOVL1

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-7928139-B2 Naphthalenone compounds exhibiting prolyl hydroxylase inhibitory activity, compositions, and uses thereof AMGEN INC. (US) 2011-04-19 US disclosed
US-20100048572-A1 NAPHTHALENONE COMPOUNDS EXHIBITING PROLYL HYDROXYLASE INHIBITORY ACTIVITY, COMPOSITIONS, AND USES THEREOF AMGEN INC. (US) 2010-02-25 US disclosed
US-7635715-B2 Naphthalenone compounds exhibiting prolyl hydroxylase inhibitory activity, compositions, and uses thereof AMGEN INC. (US) 2009-12-22 US disclosed
EP-2111399-A2 NAPHTHALENONE COMPOUNDS EXHIBITING PROLYL HYDROXYLASE INHIBITORY ACTIVITY, COMPOSITIONS, AND USES THEREOF Amgen Inc. (US) 2009-10-28 EP disclosed
US-20090093483-A1 Naphthalenone compounds exhibiting prolyl hydroxylase inhibitory activity, compositions, and uses thereof AMGEN INC. (US) 2009-04-09 US disclosed
WO-2008076427-A2 NAPHTHALENONE COMPOUNDS EXHIBITING PROLYL HYDROXYLASE INHIBITORY ACTIVITY, COMPOSITIONS, AND USES THEREOF AMGEN INC. (US) 2008-06-26 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-20100048572-A1 NAPHTHALENONE COMPOUNDS EXHIBITING PROLYL HYDROXYLASE INHIBITORY ACTIVITY, COMPOSITIONS, AND USES THEREOF EGLN2, EGLN3, HIF1AN HDAC4 545/4885ALDH1A1 128/4885LMNA 1715/4885
US-20090093483-A1 Naphthalenone compounds exhibiting prolyl hydroxylase inhibitory activity, compositions, and uses thereof EGLN2, EGLN3, HIF1AN HDAC4 545/4885ALDH1A1 128/4885LMNA 1715/4885

“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.