SCHEMBL12658564

SCHEMBL12658564

O=C(CCCCCO)c1ccc2[nH]c(=O)[nH]c2c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMYD3 Q9H7B4 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
P2RY12 Q9H244 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC8 Q9BY41 1/20 0.38
HSD17B3 P37058 5/20 0.37

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
SCHEMBL4851937 0.85 KDM4E (0.41) MEN1KMT2ASMYD3L3MBTL1LMNA
SCHEMBL1827517 0.83 PDE4B (0.46) MEN1KMT2ASMYD3L3MBTL1TDP1
SCHEMBL4190166 0.82 MEN1 (0.37) MEN1KMT2ASMYD3L3MBTL1LMNA
SCHEMBL13062695 0.80 MEN1 (0.47) MEN1KMT2ASMYD3L3MBTL1LMNA
SCHEMBL6763737 0.80 MAPT (0.50) MEN1KMT2ASMYD3L3MBTL1MAPT
SCHEMBL8543066 0.80 KDM4E (0.44) MEN1KMT2ASMYD3L3MBTL1LMNA
SCHEMBL6766834 0.76 MAPT (0.46) MEN1KMT2ASMYD3LMNAMAPT
SCHEMBL4194809 0.76 ALDH1A1 (0.58) MEN1KMT2ASMYD3L3MBTL1LMNA
SCHEMBL6112937 0.76 PTPN1 (0.47) MEN1KMT2ASMYD3LMNAMAPT
SCHEMBL4208102 0.75 MEN1 (0.40) MEN1KMT2ASMYD3L3MBTL1LMNA

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
EP-2319838-A1 Therapeutic Molecules and Methods-1 Cortical Pty Ltd (AU) 2011-05-11 EP disclosed
US-20100323999-A1 Therapeutic Molecules and Methods-1 MORAND ERIC FRANCIS 2010-12-23 US disclosed
US-7709514-B2 Therapeutic molecules and methods-1 CORTICAL PTY LTD (AU) 2010-05-04 US 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-20100323999-A1 Therapeutic Molecules and Methods-1 MIF, IL1B, IL1A MEN1 585/4885KMT2A 4517/4885SMYD3 4345/4885

“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.