SCHEMBL10247036

SCHEMBL10247036

COC1c2ccc(C(=O)NO)cc2CCC1NC(=O)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 11/20 0.42
HDAC8 Q9BY41 10/20 0.42
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
ESR1 P03372 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
SCHEMBL10247153 0.77 LMNA (0.50) HDAC6HDAC8TAS1R3TAS1R1
SCHEMBL10247136 0.76 HDAC8 (0.47) HDAC6HDAC8
SCHEMBL355453 0.73 HDAC8 (0.60) HDAC6HDAC8
SCHEMBL354112 0.73 HDAC8 (0.60) HDAC6HDAC8
SCHEMBL354884 0.73 HDAC8 (0.54) HDAC6HDAC8
SCHEMBL10249658 0.67 LMNA (0.47) HDAC6TAS1R3TAS1R1
SCHEMBL10246936 0.66 TAOK3 (0.52) TAS1R3TAS1R1
SCHEMBL10246865 0.66 LMNA (0.54) TAS1R3TAS1R1
SCHEMBL9854709 0.66 MTNR1A (0.49) TAS1R3TAS1R1PDE4APDE4BPDE4C
SCHEMBL803536 0.65 KMT2A (0.49) TAS1R3TAS1R1PDE4APDE4BPDE4C

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
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, 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-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 HDAC6 1/4885HDAC8 13/4885TAS1R3 3594/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 HDAC6 1/4885HDAC8 20/4885TAS1R3 3997/4885

“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.