SCHEMBL3988679

SCHEMBL3988679

CCOC(=O)C1C2C(C)CCCC12C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
LMNA P02545 1/20 0.40
UGT2B7 P16662 2/20 0.36
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
F10 P00742 2/20 0.33
TP53 P04637 1/20 0.33
PPM1B O75688 1/20 0.33
PTPN1 P18031 1/20 0.33
PPP1CC P36873 1/20 0.33
MAPT P10636 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
SCHEMBL4608110 0.81 ALDH1A1 (0.42) ALDH1A1LMNAUGT2B7KDM4ESMN1; SMN2
SCHEMBL4606378 0.81 ALDH1A1 (0.42) ALDH1A1LMNAUGT2B7KDM4ESMN1; SMN2
SCHEMBL4608105 0.81 ALDH1A1 (0.42) ALDH1A1LMNAUGT2B7KDM4ESMN1; SMN2
SCHEMBL812446 0.81 ALDH1A1 (0.42) ALDH1A1LMNAUGT2B7KDM4ESMN1; SMN2
SCHEMBL4606370 0.81 ALDH1A1 (0.42) ALDH1A1LMNAUGT2B7KDM4ESMN1; SMN2
SCHEMBL3984188 0.79 ALDH1A1 (0.43) ALDH1A1LMNAUGT2B7F10TP53
SCHEMBL3747168 0.78 ALDH1A1 (0.46) ALDH1A1LMNAKDM4ESMN1; SMN2PPM1B
SCHEMBL3641631 0.78 ALDH1A1 (0.46) ALDH1A1LMNAKDM4ESMN1; SMN2PPM1B
SCHEMBL3754080 0.78 ALDH1A1 (0.46) ALDH1A1LMNAKDM4ESMN1; SMN2PPM1B
SCHEMBL3984138 0.76 UGT2B7 (0.46) UGT2B7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1562575-B1 FUSED CYCLOALKYL AMIDES AND ACIDS AND THEIR THERAPEUTIC APPLICATIONS FOR THE TREATMENT OF I.A. EPILEPSY ABBOTT LAB (US) 2009-05-20 EP disclosed
US-20040209859-A1 Fused cycloalkyl amides and acids and their therapeutic applications ABBOTT LABORATORIES 2004-10-21 US disclosed
US-20040077617-A1 Fused cycloalkyl amides and acids and their therapeutic applications ABBOTT LABORATORIES 2004-04-22 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 (2 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-20040209859-A1 Fused cycloalkyl amides and acids and their therapeutic applications GRIN2A, GRIK1, GRIN2B ALDH1A1 529/4885LMNA 1972/4885UGT2B7 1481/4885
US-20040077617-A1 Fused cycloalkyl amides and acids and their therapeutic applications GRIN2A, GRIK1, GRIN2B ALDH1A1 529/4885LMNA 1972/4885UGT2B7 1481/4885

“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.