SCHEMBL12413764

SCHEMBL12413764

CC(C)C(=O)OCCC1CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
ACACB O00763 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.32
EPHX1 P07099 1/20 0.32
PTGES O14684 1/20 0.31
ALOX5 P09917 1/20 0.31
PPARG P37231 1/20 0.31
METAP2 P50579 1/20 0.31
SIGMAR1 Q99720 1/20 0.30
TP53 P04637 1/20 0.30
LNPEP Q9UIQ6 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30

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
SCHEMBL12413766 0.90 EPHX1 (0.42) MAPTSMN1; SMN2EPHX1METAP2SIGMAR1
SCHEMBL13686651 0.80 SMN1; SMN2 (0.51) SMN1; SMN2EPHX1
SCHEMBL14230739 0.80
SCHEMBL697188 0.78 ACACB (0.37) MAPTACACBSMN1; SMN2EPHX1
SCHEMBL13073334 0.77 EPHX1 (0.58) SMN1; SMN2EPHX1
SCHEMBL9967748 0.77 SLC1A3 (0.38) ACACB
SCHEMBL12506840 0.77
SCHEMBL8391892 0.76 EPHX1 (0.38) SMN1; SMN2EPHX1METAP2SIGMAR1
SCHEMBL30457829 0.76 MAPT (0.38) MAPTTP53
SCHEMBL12116543 0.76 MAPT (0.33) MAPTMETAP2LNPEP

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-8293729-B2 Compounds, pharmaceutical composition and methods relating thereto BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 US disclosed
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-07 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-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO MC2R, REN, CYP11B2 MAPT 2367/4885ACACB 1028/4885SMN1; SMN2 1994/4885

“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.