SCHEMBL990916

SCHEMBL990916

CCC(O)(CC)CCC1CO1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
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
SCHEMBL991387 0.89 ALDH1A1 (0.45) ALDH1A1
SCHEMBL990048 0.76 ALDH1A1 (0.34) ALDH1A1TSHRMAPK1
SCHEMBL991397 0.76
SCHEMBL19872892 0.76 ALDH1A1 (0.44) ALDH1A1TSHRMAPK1
SCHEMBL12255004 0.74 ALDH1A1 (0.43) ALDH1A1TSHRMAPK1
SCHEMBL989281 0.73 ALDH1A1 (0.37) ALDH1A1TSHRMAPK1
SCHEMBL28396533 0.71 ALDH1A1 (0.40) ALDH1A1TSHRMAPK1
SCHEMBL13500045 0.70 ALDH1A1 (0.42) ALDH1A1TSHRMAPK1
SCHEMBL2821051 0.70
SCHEMBL30077649 0.70 ALDH1A1 (0.33) ALDH1A1

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 2675/4885TSHR 3546/4885MAPK1 1878/4885

“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.