SCHEMBL10102177

SCHEMBL10102177

Cc1ccc(C(=O)C2CCC(CCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC2)cc1OC(C)C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
CYP3A4 P08684 1/20 0.36
HTT P42858 1/20 0.36
GCK P35557 2/20 0.35
KMT2A Q03164 3/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
ACACB O00763 1/20 0.31
ACACA Q13085 1/20 0.31

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
SCHEMBL10102186 0.79 MAPK14 (0.37) KMT2AMEN1KDM4E
SCHEMBL10102175 0.76 CYP3A4 (0.35) SMYD2SMN1; SMN2CYP3A4HTT
SCHEMBL14042205 0.71 PDE4B (0.38) KMT2ALMNAALDH1A1GAAMEN1
SCHEMBL30726327 0.71 SMYD2 (0.43) SMYD2SMN1; SMN2CYP3A4HTT
SCHEMBL30955759 0.71 SMYD2 (0.43) SMYD2SMN1; SMN2CYP3A4HTT
SCHEMBL30955729 0.71 SMYD2 (0.43) SMYD2SMN1; SMN2CYP3A4HTT
SCHEMBL660730 0.68 PDE4B (0.45) KMT2ALMNAALDH1A1POLBGAA
SCHEMBL31216593 0.68 SMYD2 (0.41) SMYD2SMN1; SMN2CYP3A4HTT
SCHEMBL31644559 0.68 SMYD2 (0.41) SMYD2SMN1; SMN2CYP3A4HTT
SCHEMBL10437922 0.68 SMYD2 (0.37) SMYD2SMN1; SMN2CYP3A4HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536157-B2 Non-steroidal compounds THE UNIVERSITY OF MELBOURNE (AU) 2013-09-17 US disclosed
US-20120046255-A1 NON-STEROIDAL COMPOUNDS THE UNIVERSITY OF MELBOURNE of ROYAL PARADE PARKVILLE (AU) 2012-02-23 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-20120046255-A1 NON-STEROIDAL COMPOUNDS PTGES2, PTGES, PTGES3 SMYD2 4563/4885SMN1; SMN2 3060/4885CYP3A4 500/4885

“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.