SCHEMBL5043559

SCHEMBL5043559

CC(C)(C)C(=O)P(=O)(C(=O)C(C)(C)C)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
ALDH1A1 P00352 3/20 0.46
GAA P10253 3/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
PKM P14618 1/20 0.46
CFTR P13569 1/20 0.45
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA5A P35218 1/20 0.44
USP2 O75604 1/20 0.42
ESR1 P03372 1/20 0.42
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 2/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALOX15 P16050 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
SCHEMBL67541 0.83 TSHR (0.47) TSHRALDH1A1GAAKMT2AMEN1
SCHEMBL1735174 0.81 CFTR (0.48) TSHRALDH1A1GAAKMT2AMEN1
SCHEMBL28409674 0.81 TSHR (0.46) TSHRALDH1A1GAAKMT2AMEN1
SCHEMBL10060105 0.80 TSHR (0.39) TSHRALDH1A1GAAKMT2AMEN1
SCHEMBL5043810 0.80 LMNA (0.41) TSHRALDH1A1GAAKMT2AMEN1
SCHEMBL10954100 0.77 TSHR (0.41) TSHRALDH1A1GAAKMT2AMEN1
SCHEMBL57751 0.76 POLB (0.43) TSHRALDH1A1GAAKMT2AMEN1
SCHEMBL28417022 0.76 ALDH1A1 (0.43) TSHRALDH1A1GAAKMT2AMEN1
SCHEMBL9484276 0.76 ALDH1A1 (0.45) TSHRALDH1A1GAAKMT2AMEN1
SCHEMBL9485035 0.75 HDAC3 (0.50) TSHRALDH1A1GAAKMT2AMEN1

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-7439401-B2 Process for preparing acylphosphanes and derivatives thereof CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-10-21 US disclosed
US-7439401-B2 Process for preparing acylphosphanes and derivatives thereof CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-10-21 US disclosed
US-7439401-B2 Process for preparing acylphosphanes and derivatives thereof CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-10-21 US disclosed
US-20060247436-A1 Process for preparing acylphosphanes and derivatives thereof IGM GROUP B.V. (NL) 2006-11-02 US disclosed
EP-1648908-B1 PROCESS FOR PREPARING ACYLPHOSPHANES AND DERIVATIVES THEREOF CIBA SC HOLDING AG (CH) 2006-10-18 EP disclosed
EP-1648908-A1 PROCESS FOR PREPARING ACYLPHOSPHANES AND DERIVATIVES THEREOF Ciba SC Holding AG (CH) 2006-04-26 EP disclosed
WO-2005014605-A1 PROCESS FOR PREPARING ACYLPHOSPHANES AND DERIVATIVES THEREOF CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-02-17 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-20060247436-A1 Process for preparing acylphosphanes and derivatives thereof PHOSPHO1, PLA2G2C, SGMS2 TSHR 3192/4885ALDH1A1 944/4885GAA 1194/4885

“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.