SCHEMBL552275

SCHEMBL552275

C#CC(O)(c1ccccc1)C1CC=CCC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
CYP2D6 P10635 1/20 0.36
HRH1 P35367 1/20 0.36
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CHRM3 P20309 8/20 0.33
CHRM2 P08172 7/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL609929 0.81 MEN1 (0.43) MEN1KMT2ALMNACYP2D6HRH1
SCHEMBL4889259 0.78 KEAP1 (0.51) CYP2D6HRH1KEAP1NFE2L2MAPT
SCHEMBL6589615 0.78 KEAP1 (0.47) MEN1KMT2ALMNACYP2D6HRH1
SCHEMBL9193099 0.77 MAPT (0.52) CYP2D6HRH1KEAP1NFE2L2MAPT
SCHEMBL22461931 0.69 CYP2D6 (0.50) MEN1KMT2ALMNACYP2D6HRH1
SCHEMBL6860669 0.68 MEN1 (0.31) MEN1KMT2ALMNACYP2D6HRH1
SCHEMBL6854478 0.68 MEN1 (0.31) MEN1KMT2ALMNACYP2D6HRH1
SCHEMBL28956828 0.65 ALDH1A1 (0.35) KMT2AMAPTALDH1A1
SCHEMBL15283226 0.65 LMNA (0.63) MEN1KMT2ALMNAMAPTNPSR1
SCHEMBL3316886 0.62 LMNA (0.45) LMNAALDH1A1

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-8110695-B2 Compounds and compositions containing silicon and/or other heteroatoms and/or metals and methods of making and using them WELKER MARK E (US) 2012-02-07 US disclosed
US-20100056801-A1 Compounds And Compositions Containing Silicon And/Or Other Heteroatoms And/Or Metals And Methods of Making And Using Them WELKER MARK E 2010-03-04 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-20100056801-A1 Compounds And Compositions Containing Silicon And/Or Other Heteroatoms And/Or Metals And Methods of Making And Using Them CA6, SOD1, CA1 MEN1 27/4885KMT2A 1805/4885LMNA 1005/4885

“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.