SCHEMBL9946164

SCHEMBL9946164

CC(C)(C)OC(=O)Nc1cccc(C2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.50
HCRTR2 O43614 1/20 0.50
SIRT2 Q8IXJ6 3/20 0.44
SIRT1 Q96EB6 2/20 0.44
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
BRD4 O60885 2/20 0.43
CREBBP Q92793 1/20 0.43
CYP17A1 P05093 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA9 Q16790 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
BCL2 P10415 1/20 0.41
BECN1 Q14457 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 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
SCHEMBL16687460 0.84 PSMB8 (0.45) HCRTR1HCRTR2SIRT2SIRT1HDAC3
SCHEMBL9946132 0.81 ALDH1A1 (0.50)
SCHEMBL29029431 0.79 HDAC3 (0.56) HCRTR1HCRTR2HDAC3HDAC1HDAC2
SCHEMBL17920283 0.79 PRKCI (0.48) HCRTR1HCRTR2SIRT2SIRT1HDAC3
SCHEMBL31617847 0.76 HCRTR1 (0.46) HCRTR1HCRTR2SIRT2SIRT1HDAC3
SCHEMBL30941433 0.76 HCRTR1 (0.46) HCRTR1HCRTR2SIRT2SIRT1HDAC3
SCHEMBL5190565 0.75 KMO (0.47) HCRTR1HCRTR2SIRT2SIRT1HDAC3
SCHEMBL1300326 0.74 PRMT5 (0.47) HCRTR1HCRTR2SIRT2SIRT1HDAC3
SCHEMBL29895473 0.74 PRMT5 (0.47) HCRTR1HCRTR2SIRT2SIRT1HDAC3
SCHEMBL27935844 0.74 BCL2 (0.43) HCRTR1HCRTR2SIRT2SIRT1HDAC3

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 HCRTR1 1021/4885HCRTR2 338/4885SIRT2 2450/4885

“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.