SCHEMBL9605412

SCHEMBL9605412

COC(=O)[C@H]1CC[C@H](C(=O)OO)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
CHRNB2 P17787 2/20 0.43
CHRNA4 P43681 2/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA7 P36544 1/20 0.43
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
PPM1B O75688 1/20 0.41
PTPN1 P18031 1/20 0.41
PPP1CC P36873 1/20 0.41
BRD4 O60885 1/20 0.39
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL2948892 0.89 TP53 (0.56) TP53SMN1; SMN2CHRNB2CHRNA4CHRNB4
SCHEMBL2200767 0.89 TP53 (0.56) TP53SMN1; SMN2CHRNB2CHRNA4CHRNB4
SCHEMBL74396 0.89 TP53 (0.56) TP53SMN1; SMN2CHRNB2CHRNA4CHRNB4
SCHEMBL244740 0.89
Hydrochloric Acid SCHEMBL6271997 0.87
Methyl Alcohol SCHEMBL27845135 0.87 TP53 (0.54) TP53SMN1; SMN2CHRNB2CHRNA4CHRNB4
SCHEMBL8610883 0.87 TP53 (0.54) TP53SMN1; SMN2CHRNB2CHRNA4CHRNB4
SCHEMBL10353794 0.87 KMT2A (0.38) TP53SMN1; SMN2
SCHEMBL18528969 0.87
Ethylene SCHEMBL11226332 0.84 TP53 (0.52) TP53SMN1; SMN2CHRNB2CHRNA4CHRNB4

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-20120136152-A1 EFFICIENT SYNTHETIC METHOD OF 18F-MEFWAY PRECURSOR INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2012-05-31 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-20120136152-A1 EFFICIENT SYNTHETIC METHOD OF 18F-MEFWAY PRECURSOR FTO, SLC7A5, CYP3A5 TP53 4241/4885SMN1; SMN2 3315/4885CHRNB2 3695/4885

“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.