SCHEMBL4157067

SCHEMBL4157067

CC(C)(C)c1ccc(CNCCc2ccc3c(c2)OCO3)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
POLB P06746 2/20 0.57
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
DPP7 Q9UHL4 1/20 0.50

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
SCHEMBL4111732 0.86 MEN1 (0.60) MEN1KMT2APOLBHDAC3HDAC4
SCHEMBL108732 0.85 POLB (0.69) MEN1KMT2APOLBHDAC3HDAC4
SCHEMBL9735961 0.83 POLB (0.71) MEN1KMT2APOLBHDAC3HDAC4
SCHEMBL30496700 0.81 POLB (0.66) MEN1KMT2APOLBHDAC3HDAC4
SCHEMBL4157065 0.80 RAB9A (0.63) MEN1KMT2AALDH1A1TDP1
SCHEMBL20902780 0.79 CA1 (0.71) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL9736670 0.78 POLB (0.59) MEN1KMT2APOLBHDAC3HDAC4
SCHEMBL12049637 0.77 ALDH1A1 (0.76) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL24999175 0.77 TAAR1 (0.56) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL30859493 0.77 POLB (0.58) MEN1KMT2APOLBHDAC3HDAC4

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-20090171091-A1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LIMITED (IN) 2009-07-02 US claimed
EP-2049493-A2 COMPOUNDS SUITABLE AS MODULATORS OF HDL Cadila Healthcare Limited (IN) 2009-04-22 EP claimed
WO-2008059513-A2 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LIMITED (IN) 2008-05-22 WO claimed
US-20090171091-A1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LIMITED (IN) 2009-07-02 US disclosed
EP-2049493-A2 COMPOUNDS SUITABLE AS MODULATORS OF HDL Cadila Healthcare Limited (IN) 2009-04-22 EP disclosed
WO-2008059513-A2 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LIMITED (IN) 2008-05-22 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-20090171091-A1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CETP, APOB, HDLBP MEN1 1778/4885KMT2A 4396/4885POLB 4639/4885

“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.