SCHEMBL5081813

SCHEMBL5081813

O=C(O)C12CC3CC(C(=O)O)(C1)CC(C(=O)N1CCCC1)(C3)C2

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.68
LMNA P02545 2/20 0.68
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
HSD11B1 P28845 8/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
MAPK1 P28482 1/20 0.49
MAPT P10636 1/20 0.47
RBP4 P02753 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
GAA P10253 1/20 0.39
ALOX12 P18054 1/20 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
SCHEMBL5078675 1.00 SMN1; SMN2 (0.68) SMN1; SMN2LMNAMEN1KMT2AHSD11B1
SCHEMBL5085229 0.92 SMN1; SMN2 (0.78) SMN1; SMN2LMNAMEN1KMT2AHSD11B1
SCHEMBL5563669 0.86 SMN1; SMN2 (0.86) SMN1; SMN2LMNAMEN1KMT2AHSD11B1
SCHEMBL29860554 0.84 HSD11B1 (0.83) SMN1; SMN2LMNAMEN1KMT2AHSD11B1
SCHEMBL19149359 0.83 HSD11B1 (0.71) SMN1; SMN2LMNAMEN1KMT2AHSD11B1
SCHEMBL5085265 0.82 SMN1; SMN2 (0.57) SMN1; SMN2LMNAMEN1KMT2AHSD11B1
SCHEMBL5080851 0.82 SMN1; SMN2 (0.57) SMN1; SMN2LMNAMEN1KMT2AHSD11B1
SCHEMBL5078687 0.82 SMN1; SMN2 (0.57) SMN1; SMN2LMNAMEN1KMT2AHSD11B1
SCHEMBL5568823 0.81 SMN1; SMN2 (1.00) SMN1; SMN2LMNAMEN1KMT2AHSD11B1
SCHEMBL282760 0.79 PKM (0.42) SMN1; SMN2LMNAMEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1462471-B1 Dielectric films and materials therefor DAICEL CHEM (JP) 2008-07-30 EP disclosed
US-20070078256-A1 Prepolymers, prepolymer compositions, high-molecular-weight polymers with pore structure, and dielectric films DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-04-05 US disclosed
US-7186454-B2 Dielectric films and materials therefor DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-03-06 US disclosed
US-20070032556-A1 Aromatic polyamine derivative DAICEL CHEMICAL INSUSTRIES, LTD. (JP) 2007-02-08 US disclosed
US-20060264667-A1 Adamantanetricarboxylic acid derivatives NAGANO SHINYA 2006-11-23 US disclosed
US-7102027-B2 Adamantanetricarboxylic acid derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2006-09-05 US disclosed
EP-1683822-A1 PREPOLYMER, PREPOLYMER COMPOSITION, HIGH MOLECULAR WEIGHT POLYMER HAVING STRUCTURE CONTAINING HOLE AND ELECTRICALLY INSULATING FILM Daicel Chemical Industries, Ltd. (JP) 2006-07-26 EP disclosed
EP-1681284-A1 AROMATIC POLYAMINE DERIVATIVE Daicel Chemical Industries, Ltd. (JP) 2006-07-19 EP disclosed
EP-1505053-A1 Adamantanetricarboxylic acid derivatives Daicel Chemical Industries, Ltd. (JP) 2005-02-09 EP disclosed
US-20040242923-A1 Adamantanetricarboxylic acid derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2004-12-02 US disclosed
EP-1462471-A1 Dielectric films and materials thereof Daicel Chemical Industries, Ltd. (JP) 2004-09-29 EP disclosed
US-20040175858-A1 Dielectric films and materials therefor DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2004-09-09 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 (3 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-20040242923-A1 Adamantanetricarboxylic acid derivatives HCAR1, CA1, ALDH7A1 SMN1; SMN2 2424/4885LMNA 1974/4885MEN1 1203/4885
US-20070032556-A1 Aromatic polyamine derivative SRM, PRMT1, KDM8 SMN1; SMN2 3372/4885LMNA 3440/4885MEN1 1236/4885
US-20060264667-A1 Adamantanetricarboxylic acid derivatives CA1, HCAR1, ALDH7A1 SMN1; SMN2 2289/4885LMNA 1367/4885MEN1 1259/4885

“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.