SCHEMBL3475313

SCHEMBL3475313

CC(C)P(=O)(CC(=O)OCc1ccccc1)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
MAPK1 P28482 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
SLC15A1 P46059 1/20 0.47
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ELANE P08246 2/20 0.46
CDC25B P30305 1/20 0.46
TSHR P16473 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PRTN3 P24158 1/20 0.43
ABCC3 O15438 1/20 0.43
NR1I2 O75469 1/20 0.43
ABCB11 O95342 1/20 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
SCHEMBL28378069 0.81 ALDH1A1 (0.59) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL6169362 0.80 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1SLC15A1SLC6A2
SCHEMBL4465319 0.79 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL413305 0.79 TSHR (0.58) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL3473788 0.77 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL26466090 0.77 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL6397781 0.77 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL5849992 0.76 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL5148297 0.76 ALDH1A1 (0.63) ALDH1A1MAPK1L3MBTL1SLC15A1SLC6A2
SCHEMBL111390 0.76 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1SLC15A1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318960-B2 Diarylphosphine- and dialkylphosphine-containing compounds, processes of preparing same and uses thereof as tridentate ligands TECHNION RESEARCH & DEVELOPMENT FOUNDATION LTD. (IL) 2012-11-27 US disclosed
US-8318960-B2 Diarylphosphine- and dialkylphosphine-containing compounds, processes of preparing same and uses thereof as tridentate ligands TECHNION RESEARCH & DEVELOPMENT FOUNDATION LTD. (IL) 2012-11-27 US disclosed
US-20100292084-A1 NOVEL DIARYLPHOSPHINE- AND DIALKYLPHOSPHINE-CONTAINING COMPOUNDS, PROCESSES OF PREPARING SAME AND USES THEREOF AS TRIDENTATE LIGANDS TECHNION RESEARCH & DEVELOPMENT FOUNDATION LTD. (IL) 2010-11-18 US disclosed
US-20100292084-A1 NOVEL DIARYLPHOSPHINE- AND DIALKYLPHOSPHINE-CONTAINING COMPOUNDS, PROCESSES OF PREPARING SAME AND USES THEREOF AS TRIDENTATE LIGANDS TECHNION RESEARCH & DEVELOPMENT FOUNDATION LTD. (IL) 2010-11-18 US 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-20100292084-A1 NOVEL DIARYLPHOSPHINE- AND DIALKYLPHOSPHINE-CONTAINING COMPOUNDS, PROCESSES OF PREPARING SAME AND USES THEREOF AS TRIDENTATE LIGANDS MVD, DDT, AGPS ALDH1A1 2141/4885MAPK1 4352/4885L3MBTL1 4668/4885

“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.