SCHEMBL12417818

SCHEMBL12417818

CC(C)CSCc1cccc(C(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MDM4 O15151 1/20 0.37
ALDH1A1 P00352 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
HTT P42858 1/20 0.37
MDM2 Q00987 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CA9 Q16790 1/20 0.37
HDAC2 Q92769 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
SCHEMBL20734676 0.87 ACHE (0.42) ALDH1A1HPGDNPC1TNFRAB9A
SCHEMBL21238702 0.80 ACHE (0.38) ALDH1A1HPGDSMN1; SMN2NPC1TNF
SCHEMBL18660091 0.80 ACHE (0.38) NPC1TNFRAB9ANOD1ACHE
SCHEMBL20115403 0.79 HDAC4 (0.40) HDAC4HDAC8KDM4EMDM4ALDH1A1
SCHEMBL13899621 0.79 MAOA (0.44) ALDH1A1CYP3A4HPGDNPC1TNF
SCHEMBL12394804 0.78 HDAC4 (0.39) HDAC4HDAC8KDM4EMDM4ALDH1A1
SCHEMBL23260284 0.77 ACHE (0.36) KDM4EALDH1A1CYP3A4MAPTHPGD
SCHEMBL23260283 0.77 ACHE (0.36) ALDH1A1HPGDSMN1; SMN2NPC1TNF
SCHEMBL9906029 0.77 ACE (0.46) CYP3A4METAP2CYP1A2ACE
SCHEMBL27424027 0.76 ACHE (0.36) ALDH1A1HPGDHTTSMN1; SMN2NPC1

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 HDAC4 2059/4885HDAC8 1980/4885KDM4E 3706/4885

“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.