SCHEMBL9946028

SCHEMBL9946028

CC(C)c1cccc(OC(C)(C)C(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
TSHR P16473 1/20 0.44
HDAC4 P56524 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
MDM4 O15151 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
TYR P14679 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
CA5A P35218 1/20 0.38
HTT P42858 1/20 0.38
MDM2 Q00987 1/20 0.38

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
SCHEMBL13119204 0.85 KDM4E (0.46) KDM4ETSHRHDAC4HDAC8ALDH1A1
SCHEMBL7411901 0.83 KDM4E (0.49) KDM4ETSHRHDAC4HDAC8ALDH1A1
SCHEMBL15144976 0.81 KDM4E (0.44) KDM4ETSHRHDAC4HDAC8ALDH1A1
SCHEMBL2662566 0.79 KDM4E (0.45) KDM4ETSHRHDAC4HDAC8ALDH1A1
SCHEMBL9946029 0.78 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2CYP3A4MAPTTYR
SCHEMBL30417990 0.78 KDM4E (0.44) KDM4ETSHRHDAC4HDAC8ALDH1A1
SCHEMBL1576279 0.78 KDM4E (0.44) KDM4ETSHRHDAC4HDAC8ALDH1A1
SCHEMBL18737236 0.77 KDM4E (0.44) KDM4ETSHRHDAC4HDAC8ALDH1A1
SCHEMBL12868104 0.76 CETP (0.54) KDM4ETSHRHDAC4HDAC8ALDH1A1
SCHEMBL12868100 0.76 KDM4E (0.43) KDM4ETSHRHDAC4HDAC8ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 KDM4E 4270/4885TSHR 1441/4885HDAC4 2933/4885

“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.