SCHEMBL5481640

SCHEMBL5481640

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
PKM P14618 1/20 0.41
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 3/20 0.36
THRB P10828 2/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C9 P11712 1/20 0.33
HSD11B1 P28845 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SLC6A4 P31645 1/20 0.31

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
SCHEMBL5082227 1.00 L3MBTL1 (0.41) L3MBTL1PKMALDH1A1SMN1; SMN2LMNA
SCHEMBL4580828 0.91 SMN1; SMN2 (0.43) L3MBTL1PKMALDH1A1SMN1; SMN2LMNA
SCHEMBL282760 0.88 PKM (0.42) L3MBTL1PKMALDH1A1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL4580832 0.85 PKM (0.46) L3MBTL1PKMALDH1A1SMN1; SMN2LMNA
SCHEMBL5562998 0.84 L3MBTL1 (0.51) L3MBTL1PKMALDH1A1SMN1; SMN2LMNA
SCHEMBL5402913 0.80 HSD11B1 (0.43) PKMALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL14947974 0.80 THRB (0.38) L3MBTL1ALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL21439790 0.80
SCHEMBL164232 0.78 L3MBTL1 (0.58) L3MBTL1PKMALDH1A1SMN1; SMN2LMNA
SCHEMBL13589980 0.78 L3MBTL1 (0.58) L3MBTL1PKMALDH1A1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 L3MBTL1 1516/4885PKM 3769/4885ALDH1A1 13/4885
US-20070032556-A1 Aromatic polyamine derivative SRM, PRMT1, KDM8 L3MBTL1 3091/4885PKM 1855/4885ALDH1A1 179/4885
US-20060264667-A1 Adamantanetricarboxylic acid derivatives CA1, HCAR1, ALDH7A1 L3MBTL1 1648/4885PKM 2671/4885ALDH1A1 23/4885

“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.