SCHEMBL5082232

SCHEMBL5082232

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

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
GLA P06280 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 3/20 0.34
TSHR P16473 1/20 0.33
MEN1 O00255 2/20 0.33
THRB P10828 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
SCHEMBL5084537 1.00 ALDH1A1 (0.39) ALDH1A1GLANPSR1L3MBTL1PKM
SCHEMBL5084581 0.92 GLA (0.42) ALDH1A1GLANPSR1L3MBTL1KMT2A
SCHEMBL6229202 0.91 MEN1 (0.44) ALDH1A1GLAKMT2AMEN1
SCHEMBL6229200 0.90 ALDH1A1 (0.34) ALDH1A1GLANPSR1KMT2A
SCHEMBL163910 0.85 ALDH1A1 (0.51) ALDH1A1GLANPSR1L3MBTL1PKM
Hydrochloric Acid SCHEMBL5859992 0.83 ALDH1A1 (0.50) ALDH1A1GLANPSR1L3MBTL1PKM
SCHEMBL17586310 0.83
SCHEMBL282760 0.82 PKM (0.42) ALDH1A1L3MBTL1PKMKMT2AMEN1
SCHEMBL5607585 0.82 ALDH1A1 (0.40) ALDH1A1GLANPSR1L3MBTL1TSHR
SCHEMBL4037135 0.82 MEN1 (0.49) GLAKMT2AMEN1

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 ALDH1A1 13/4885GLA 778/4885NPSR1 1965/4885
US-20070032556-A1 Aromatic polyamine derivative SRM, PRMT1, KDM8 ALDH1A1 179/4885GLA 3803/4885NPSR1 2056/4885
US-20060264667-A1 Adamantanetricarboxylic acid derivatives CA1, HCAR1, ALDH7A1 ALDH1A1 23/4885GLA 585/4885NPSR1 1698/4885

“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.