SCHEMBL4258906

SCHEMBL4258906

O=C(C=Cc1ccccc1)NOC1CCCCO1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.46
HPGD P15428 2/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
EGFR P00533 2/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
HTT P42858 1/20 0.43
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 2/20 0.41
KMT2A Q03164 2/20 0.41

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
SCHEMBL4258903 1.00 MGLL (0.46) MGLLHPGDHDAC3HDAC4HDAC1
SCHEMBL1579761 0.91 MGLL (0.43) MGLLHPGDHDAC3HDAC4HDAC1
SCHEMBL1579763 0.91 MGLL (0.43) MGLLHPGDHDAC3HDAC4HDAC1
SCHEMBL6881995 0.91 HDAC4 (0.52) MGLLHPGDHDAC3HDAC4HDAC1
SCHEMBL1579334 0.89 NPSR1 (0.43) MGLLHPGDHDAC3HDAC4HDAC1
SCHEMBL1579332 0.89 NPSR1 (0.43) MGLLHPGDHDAC3HDAC4HDAC1
SCHEMBL14405842 0.89 MGLL (0.42) MGLLHPGDHDAC3HDAC4HDAC1
SCHEMBL3719479 0.89 MEN1 (0.47) MGLLHPGDSMN1; SMN2HTTALDH1A1
SCHEMBL3719478 0.89 MEN1 (0.47) MGLLHPGDSMN1; SMN2HTTALDH1A1
SCHEMBL38654486 0.89 TRPM8 (0.41) MGLLHPGDHDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110065734-A1 NOVEL BIFUNCTIONAL COMPOUNDS WHICH INHIBIT PROTEIN KINASES AND HISTONE DEACETYLASES 4SC AG (DE) 2011-03-17 US disclosed
EP-2060565-A1 Novel bifunctional compounds which inhibit protein kinases and histone deacetylases 4SC AG (DE) 2009-05-20 EP 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-20110065734-A1 NOVEL BIFUNCTIONAL COMPOUNDS WHICH INHIBIT PROTEIN KINASES AND HISTONE DEACETYLASES HDAC1, HDAC11, MAP2K2 MGLL 3572/4885HPGD 2275/4885HDAC3 18/4885

“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.