SCHEMBL4476946

SCHEMBL4476946

CCCC/C=C\CCC1CO1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.41
ENPP2 Q13822 10/20 0.40
LPAR2 Q9HBW0 7/20 0.40
TDP1 Q9NUW8 1/20 0.38
EPHX1 P07099 1/20 0.38

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
SCHEMBL4479334 1.00 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2ENPP2LPAR2TDP1
SCHEMBL4476952 1.00 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2ENPP2LPAR2TDP1
SCHEMBL17253399 0.87 ALDH1A1 (0.57) ALDH1A1TDP1
SCHEMBL18327147 0.83 ALDH1A1 (0.76) ALDH1A1ENPP2LPAR2EPHX1
SCHEMBL5839131 0.83 ALDH1A1 (0.76) ALDH1A1ENPP2LPAR2EPHX1
SCHEMBL9234691 0.83 ALDH1A1 (0.76) ALDH1A1ENPP2LPAR2EPHX1
SCHEMBL30958398 0.83 ALDH1A1 (0.76) ALDH1A1ENPP2LPAR2EPHX1
SCHEMBL18327140 0.83 ALDH1A1 (0.76) ALDH1A1ENPP2LPAR2EPHX1
SCHEMBL5839128 0.83 ALDH1A1 (0.76) ALDH1A1ENPP2LPAR2EPHX1
SCHEMBL10770166 0.83 ALDH1A1 (0.76) ALDH1A1ENPP2LPAR2EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612106-B2 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2009-11-03 US disclosed
US-20090258892-A1 FUSED PYRAZOLE DERIVATIVES AND METHODS OF TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2009-10-15 US disclosed
EP-1831178-A2 FUSED PYRAZOLE DERIVATIVES AND USES THEREOF IN METHODS OF TREATMENT OF METABOLIC-RELATED DISORDERS Arena Pharmaceuticals, Inc. (US) 2007-09-12 EP disclosed
US-7241792-B2 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2007-07-10 US disclosed
US-20070073062-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. 2007-03-29 US disclosed
US-20060205955-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2006-09-14 US disclosed
WO-2006069242-A2 FUSED PYRAZOLE DERIVATIVES AND USES THEREOF IN METHODS OF TREATMENT OF METABOLIC-RELATED?DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2006-06-29 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-20090258892-A1 FUSED PYRAZOLE DERIVATIVES AND METHODS OF TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF ACE, ACE2, AGTR2 ALDH1A1 794/4885SMN1; SMN2 4507/4885ENPP2 415/4885
US-20070073062-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ACE, ACE2, AGTR2 ALDH1A1 794/4885SMN1; SMN2 4507/4885ENPP2 415/4885
US-20060205955-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ACE, ACE2, AGTR2 ALDH1A1 794/4885SMN1; SMN2 4507/4885ENPP2 415/4885

“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.