SCHEMBL3020106

SCHEMBL3020106

O=C1c2cccc(Cl)c2C(=O)N1C1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
TMEM97 Q5BJF2 3/20 0.50
HTR2B P41595 2/20 0.50
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
HTR3A P46098 1/20 0.50
HTR3D Q70Z44 1/20 0.50
HTR3C Q8WXA8 1/20 0.50
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
HTR2A P28223 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
LMNA P02545 3/20 0.44
MAPT P10636 3/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL10691837 0.83 TMEM97 (0.70) ALDH1A1TMEM97HTR2BHTR3EHTR3B
SCHEMBL11563734 0.81 ALDH1A1 (0.52) ALDH1A1TMEM97HTR2BHTR3EHTR3B
SCHEMBL30987468 0.79 ALDH1A1 (0.65) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL23967443 0.79 ALDH1A1 (0.65) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL2653818 0.79 ALDH1A1 (0.65) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL5520058 0.78 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL18935574 0.77 ALDH1A1 (0.62) ALDH1A1TMEM97HTR2BHTR3EHTR3B
SCHEMBL27267376 0.77 ALDH1A1 (0.48) ALDH1A1TMEM97HTR2BHTR3EHTR3B
SCHEMBL11813616 0.76 TMEM97 (0.40) ALDH1A1TMEM97HTR2BHTR3EHTR3B
SCHEMBL28081519 0.76 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1LMNAMAPT

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-20100204431-A1 METHOD OF MAKING AN AROMATIC POLYETHER COMPOSITION USING PHOSPHAZENIUM SALT PHASE TRANSFER CATALYSTS SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2010-08-12 US disclosed
US-7705190-B2 phosphazenium salt phase transfer catalysts are shown to be especially useful in the preparation of aromatic polyethers such as polyether sulfones; enhanced stability SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2010-04-27 US disclosed
CN-100537032-C Phosphazenium salt phase transfer catalysts GEN ELECTRIC (NL) 2009-09-09 CN disclosed
CN-101125300-A Phosphazenium salt phase transfer catalysts GEN ELECTRIC (US) 2008-02-20 CN disclosed
US-20070112223-A1 phosphazenium salt phase transfer catalysts are shown to be especially useful in the preparation of aromatic polyethers such as polyether sulfones; enhanced stability GENERAL ELECTRIC COMPANY (US) 2007-05-17 US disclosed
US-20060069291-A1 Phosphazenium salt phase transfer catalysts GENERAL ELECTRIC COMPANY 2006-03-30 US disclosed
EP-1640067-A2 Phosphazenium salt phase transfer catalysts GENERAL ELECTRIC COMPANY (US) 2006-03-29 EP 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 (2 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-20070112223-A1 phosphazenium salt phase transfer catalysts are shown to be especially useful in the preparation of aromatic polyethers such as polyether sulfones; enhanced stability PHOSPHO1, MPST, PGLS ALDH1A1 4625/4885TMEM97 1185/4885HTR2B 4643/4885
US-20060069291-A1 Phosphazenium salt phase transfer catalysts PHOSPHO1, MPST, PAPSS1 ALDH1A1 4713/4885TMEM97 1304/4885HTR2B 4449/4885

“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.