SCHEMBL989281

SCHEMBL989281

CCCC(O)(CCC)CC1CO1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.31
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL23501578 0.87 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2TDP1
SCHEMBL990048 0.86 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL991387 0.80 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2TDP1
SCHEMBL620057 0.80 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL30912786 0.76 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL5581611 0.74 ALDH1A1 (0.31) ALDH1A1TDP1
SCHEMBL4167430 0.73 ALDH1A1 (0.33) ALDH1A1TDP1
SCHEMBL11032545 0.73 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL990916 0.73 ALDH1A1 (0.41) ALDH1A1TSHRMAPK1
SCHEMBL31229222 0.72 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096713-B2 Method for the phosphine-initialized production of hyperbranched polyols BASF SE (DE) 2015-08-04 US disclosed
EP-2448994-B1 METHOD FOR THE PHOSPHINE-INITIALIZED PRODUCTION OF HYPERBRANCHED POLYOLS BASF SE (DE) 2013-08-14 EP disclosed
EP-2448994-A1 METHOD FOR THE PHOSPHINE-INITIALIZED PRODUCTION OF HYPERBRANCHED POLYOLS BASF SE (DE) 2012-05-09 EP disclosed
US-20120101308-A1 METHOD FOR THE PHOSPHINE-INITIALIZED PRODUCTION OF HYPERBRANCHED POLYOLS BASF SE (DE) 2012-04-26 US disclosed
WO-2011000854-A1 METHOD FOR THE PHOSPHINE-INITIALIZED PRODUCTION OF HYPERBRANCHED POLYOLS BASF SE (DE) 2011-01-06 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 (1 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-20120101308-A1 METHOD FOR THE PHOSPHINE-INITIALIZED PRODUCTION OF HYPERBRANCHED POLYOLS PHOSPHO1, PPIP5K2, SELENOI ALDH1A1 2675/4885SMN1; SMN2 3374/4885TDP1 2936/4885

“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.