SCHEMBL460083

SCHEMBL460083

COc1ccc(-c2ccc3c(c2)CC(C(=O)NO)CC3)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.47
NPY5R Q15761 2/20 0.47
STK17B O94768 3/20 0.44
PDE4A P27815 3/20 0.43
PDE4B Q07343 3/20 0.43
PDE4C Q08493 3/20 0.43
PDE4D Q08499 3/20 0.43
CYP1A2 P05177 1/20 0.43
ADRB3 P13945 1/20 0.42
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
GAK O14976 1/20 0.41
MIF P14174 1/20 0.41
SCD O00767 1/20 0.41
AAK1 Q2M2I8 1/20 0.41
EPHX2 P34913 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL438436 0.90 TDP2 (0.44) HDAC8NPY5RCYP1A2ADRB3SCD
SCHEMBL459626 0.88 MTNR1A (0.50) NPY5R
SCHEMBL10197741 0.86 HSD17B3 (0.47) HDAC8EPHX2
SCHEMBL10197736 0.83 HDAC1 (0.53) HDAC8ALDH1A1HPGD
SCHEMBL436970 0.83 MTNR1A (0.49) HDAC8ALDH1A1KDM4E
SCHEMBL10197641 0.81 MTNR1A (0.60)
SCHEMBL10260016 0.81 FAAH (0.51) HDAC8ADRB3
SCHEMBL435688 0.80 ADRB3 (0.47) HDAC8NPY5RADRB3
SCHEMBL436855 0.79 GHSR (0.46) HDAC8ADRB3
SCHEMBL10265076 0.79 ABL1 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
WO-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
WO-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 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 (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-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 HDAC8 13/4885NPY5R 1024/4885STK17B 1843/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 HDAC8 19/4885NPY5R 626/4885STK17B 3108/4885

“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.