SCHEMBL12417828

SCHEMBL12417828

CC(C)CCSc1cccc(C(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.50
MAOB P27338 2/20 0.50
AR P10275 2/20 0.43
KIF11 P52732 1/20 0.38
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HDAC4 P56524 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MDM4 O15151 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
TYR P14679 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
CA5A P35218 1/20 0.37

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
SCHEMBL26575423 0.84 MAOA (0.46) MAOAMAOBARKIF11KDM4E
SCHEMBL12394796 0.81 MAOA (0.46) MAOAMAOBKIF11KDM4ESMN1; SMN2
SCHEMBL11386920 0.80 MAOA (0.42) MAOAMAOBARKDM4ESMN1; SMN2
SCHEMBL12461692 0.79 PTGS2 (0.49) MAOAKIF11KDM4ESMN1; SMN2HDAC4
SCHEMBL29324793 0.79 KDM4E (0.38) MAOAMAOBKIF11KDM4ESMN1; SMN2
SCHEMBL11263969 0.78 MAOA (0.42) MAOAMAOBKIF11KDM4ESMN1; SMN2
SCHEMBL20624731 0.78 KIF11 (0.43) MAOAMAOBKIF11KDM4ESMN1; SMN2
SCHEMBL15617290 0.78 HDAC4 (0.39) MAOAMAOBKIF11KDM4ESMN1; SMN2
SCHEMBL18893508 0.77 MAOA (0.49) MAOAMAOBARSMN1; SMN2NPC1
SCHEMBL638290 0.77 ALDH1A1 (0.61) MAOAMAOBARSMN1; SMN2ALDH1A1

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-20110172299-A1 THERAPEUTIC SUBSTITUTED CYCLOPENTANES ALLERGAN, INC. (US) 2011-07-14 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-20110172299-A1 THERAPEUTIC SUBSTITUTED CYCLOPENTANES TUBB6, TUBB3, TUBB2A MAOA 1005/4885MAOB 853/4885AR 3669/4885

“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.