SCHEMBL339644

SCHEMBL339644

O=[C]CC12CC3CC(C1)C(C3)C2

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 4/20 0.36
GRIN3B O60391 4/20 0.36
GRIN1 Q05586 4/20 0.36
GRIN2A Q12879 4/20 0.36
GRIN2B Q13224 4/20 0.36
GRIN2C Q14957 4/20 0.36
GRIN3A Q8TCU5 4/20 0.36
ESR1 P03372 1/20 0.33
CYP2C9 P11712 1/20 0.33
ESR2 Q92731 1/20 0.33
ALDH1A1 P00352 3/20 0.32
TSHR P16473 1/20 0.32
EPHX2 P34913 2/20 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
SCHEMBL339412 0.88 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5965360 0.74 GAA (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL339885 0.70
SCHEMBL15314277 0.69 GRIN2D (0.75) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL338881 0.67 TSHR (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL23226021 0.65 ALDH1A1 (0.34) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19174061 0.65 ALDH1A1 (0.50) ALDH1A1TSHREPHX2
SCHEMBL6517025 0.65 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18411712 0.64 HSD11B1 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8069370 0.64

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 97 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050119181-A1 Hydrophobically-modified protein compositions and methods BIOGEN IDEC INC. (US) 2005-06-02 US claimed
EP-1036092-B1 Hydrophobically-modified hedgehog protein compositions and methods BIOGEN INC (US) 2005-05-11 EP claimed
EP-1036092-A2 HYDROPHOBICALLY-MODIFIED PROTEIN COMPOSITIONS AND METHODS BIOGEN, INC. (US) 2000-09-20 EP claimed
WO-1999028343-A9 HYDROPHOBICALLY-MODIFIED PROTEIN COMPOSITIONS AND METHODS BIOGEN INC (US) 1999-10-14 WO claimed
WO-1999028343-A2 HYDROPHOBICALLY-MODIFIED PROTEIN COMPOSITIONS AND METHODS BIOGEN, INC. (US) 1999-06-10 WO claimed
EP-1646395-B1 METHODS AND COMPOSITIONS FOR REGULATING LYMPHOCYTE ACTIVITY CURIS INC (US) 2014-11-05 EP disclosed
US-20130085096-A1 REGULATION OF LUNG TISSUE BY HEDGEHOG-LIKE POLYPEPTIDES, AND FORMULATIONS AND USES RELATED THERETO PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-04-04 US disclosed
US-20120269863-A1 METHODS AND COMPOSITIONS FOR REGULATING LYMPHOCYTE ACTIVITY CURIS, INC. (US) 2012-10-25 US disclosed
US-20120238500-A1 REGULATION OF EPITHELIAL TISSUE BY HEDGEHOG-LIKE POLYPEPTIDES, AND FORMULATIONS AND USES RELATED THERETO CURIS, INC. (US) 2012-09-20 US disclosed
US-8168178-B2 Methods and compositions for regulating lymphocyte activity CURIS, INC. (US) 2012-05-01 US disclosed
US-8097253-B2 Methods for inhibiting angiogenesis UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2012-01-17 US disclosed
EP-2359842-A1 Netrin-related compositions and uses University of Utah Research Foundation (US) 2011-08-24 EP disclosed
WO-2000015246-A2 REGULATION OF LUNG TISSUE BY HEDGEHOG-LIKE POLYPEPTIDES, AND FORMULATIONS AND USES RELATED THERETO PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2000-03-23 WO disclosed
WO-1999028343-A9 HYDROPHOBICALLY-MODIFIED PROTEIN COMPOSITIONS AND METHODS BIOGEN INC (US) 1999-10-14 WO disclosed
WO-1999028343-A2 HYDROPHOBICALLY-MODIFIED PROTEIN COMPOSITIONS AND METHODS BIOGEN, INC. (US) 1999-06-10 WO disclosed
WO-1999020298-A1 REGULATION OF EPITHELIAL TISSUE BY HEDGEHOG-LIKE POLYPEPTIDES, AND FORMULATIONS AND USES RELATED THERETO ONTOGENY, INC. (US) 1999-04-29 WO disclosed
WO-1999010004-A2 REGULATION OF MUSCLE TISSUES BY HEDGEHOG-LIKE POLYPEPTIDES, AND FORMULATIONS AND USES RELATED THERETO ONTOGENY, INC. (US) 1999-03-04 WO disclosed
US-5801274-A N- mercaptoacyl(amino acid or peptide)! compounds and S-lipophilic aliphatic carbonyl derivatives thereof as antihypertensives INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1998-09-01 US disclosed
US-5591891-A PEPTIDASE INHIBITORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1997-01-07 US disclosed
WO-1994017036-A1 S-LIPOPHILIC ALIPHATIC CARBONYL [N-MERCAPTOACYL-(AMINO ACID OR PEPTIDE)] COMPOUNDS AS ANTIHYPERTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1994-08-04 WO 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-20120238500-A1 REGULATION OF EPITHELIAL TISSUE BY HEDGEHOG-LIKE POLYPEPTIDES, AND FORMULATIONS AND USES RELATED THERETO SHH, SMO, GLI1 GRIN2D 4769/4885GRIN3B 3958/4885GRIN1 4177/4885
US-20130085096-A1 REGULATION OF LUNG TISSUE BY HEDGEHOG-LIKE POLYPEPTIDES, AND FORMULATIONS AND USES RELATED THERETO SHH, FGF1, HGF GRIN2D 4719/4885GRIN3B 3618/4885GRIN1 3602/4885
US-20120269863-A1 METHODS AND COMPOSITIONS FOR REGULATING LYMPHOCYTE ACTIVITY SHH, ICOS, SMO GRIN2D 3401/4885GRIN3B 2684/4885GRIN1 3247/4885

“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.