SCHEMBL15670969

SCHEMBL15670969

CCC(C)(OC)C(C)(C)P

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
TSHR P16473 2/20 0.43
TDP1 Q9NUW8 2/20 0.43

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
SCHEMBL20353488 0.73 ALDH1A1 (0.45) ALDH1A1TSHRTDP1
SCHEMBL17237659 0.71 ALDH1A1 (0.43) ALDH1A1TSHRTDP1
SCHEMBL13127644 0.71 ALDH1A1 (0.43) ALDH1A1TSHRTDP1
SCHEMBL16204338 0.67 ALDH1A1 (0.39) ALDH1A1TSHRTDP1
SCHEMBL1821066 0.64 ALDH1A1 (0.36) ALDH1A1TSHRTDP1
SCHEMBL25458865 0.61
SCHEMBL372444 0.61
SCHEMBL16016171 0.61
SCHEMBL701581 0.60
SCHEMBL8780710 0.60 TSHR (0.40) ALDH1A1TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE48165-E1 Alkenyl (perfluoroalkyl) phosphinic acids MERCK PATENT GMBH (DE) 2020-08-18 US disclosed
US-10160777-B2 Alkenyl(perfluoroalkyl)phosphinic acids MERCK PATENT GMBH (DE) 2018-12-25 US disclosed
EP-3207047-B1 ALKENYL (PERFLUOROALKYL) PHOSPHINIC ACID MERCK PATENT GMBH (DE) 2018-09-12 EP disclosed
US-20170240574-A1 ALKENYL (PERFLUOROALKYL) PHOSPHINIC ACIDS MERCK PATENT GMBH (DE) 2017-08-24 US disclosed
EP-3207047-A1 ALKENYL (PERFLUOROALKYL) PHOSPHINIC ACID Merck Patent GmbH (DE) 2017-08-23 EP disclosed
WO-2016074757-A1 METHOD FOR THE PREPARATION OF MONO- AND BIS(PERFLUOROALKYL)FLUOROPHOSPHATE SALTS AND THEIR ACIDS MERCK PATENT GMBH (DE) 2016-05-19 WO disclosed
WO-2016058668-A1 ALKENYL (PERFLUOROALKYL) PHOSPHINIC ACID MERCK PATENT GMBH (DE) 2016-04-21 WO disclosed
US-20150291515-A1 SALTS CONTAINING TRIHYDROPERFLUOROALKOXYBUTANESULFONATE OR TRIHYDROPERFLUOROALKOXYPROPANESULFONATE ANION MERCK PATENT GMBH (DE) 2015-10-15 US disclosed
EP-2914578-A1 SALTS WITH TRIHYDROPERFLUOROALKOXYBUTANE SULFONATE OR TRIHYDROPERFLUOROALKOXYPROPANE SULFONATE ANION Merck Patent GmbH (DE) 2015-09-09 EP disclosed
WO-2015022048-A1 HEXACYANODIBORATES MERCK PATENT GMBH (DE) 2015-02-19 WO disclosed
WO-2014067603-A1 SALTS WITH TRIHYDROPERFLUOROALKOXYBUTANE SULFONATE OR TRIHYDROPERFLUOROALKOXYPROPANE SULFONATE ANION MERCK PATENT GMBH (DE) 2014-05-08 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-10160777-B2 Alkenyl(perfluoroalkyl)phosphinic acids PHOSPHO1, PFAS, SLCO4C1 ALDH1A1 4088/4885TSHR 1864/4885TDP1 2520/4885
US-20150291515-A1 SALTS CONTAINING TRIHYDROPERFLUOROALKOXYBUTANESULFONATE OR TRIHYDROPERFLUOROALKOXYPROPANESULFONATE ANION STS, ARSA, TST ALDH1A1 3057/4885TSHR 3429/4885TDP1 932/4885
US-20170240574-A1 ALKENYL (PERFLUOROALKYL) PHOSPHINIC ACIDS PHOSPHO1, PFAS, SLCO4C1 ALDH1A1 4088/4885TSHR 1864/4885TDP1 2520/4885

“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.