SCHEMBL2170895

SCHEMBL2170895

[O]C(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.62
TSHR P16473 1/20 0.47
HCAR1 Q9BXC0 1/20 0.46
RXRA P19793 2/20 0.43
RXRB P28702 2/20 0.43
RAB9A P51151 1/20 0.42
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
FABP4 P15090 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
PARP1 P09874 1/20 0.39
ATM Q13315 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
TTR P02766 1/20 0.37
ACP1 P24666 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL2171006 0.83 TPMT (0.44) TPMTHCAR1RXRARXRBRAB9A
SCHEMBL2172128 0.83 TPMT (0.44) TPMTHCAR1KDRHCAR2PARP1
SCHEMBL4465360 0.79 TPMT (0.65) TPMTTSHRHCAR1RXRARXRB
SCHEMBL93282 0.77 TPMT (0.62) TPMTTSHRHCAR1RXRARXRB
SCHEMBL28214359 0.77 TPMT (1.00) TPMTTSHRHCAR1RXRARXRB
SCHEMBL19998298 0.77 TPMT (0.62) TPMTTSHRHCAR1RXRARXRB
SCHEMBL23699 0.77 TPMT (1.00) TPMTTSHRHCAR1RXRARXRB
SCHEMBL9586456 0.74 TPMT (0.59) TPMTTSHRHCAR1RXRARXRB
SCHEMBL111207 0.74 TPMT (0.59) TPMTTSHRHCAR1RXRARXRB
SCHEMBL2095666 0.74 TPMT (0.59) TPMTTSHRHCAR1RXRARXRB

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030036661-A1 2-Aroyl-4-acyl paclitaxel (taxol) analogs BRISTOL-MYERS SQUIBB COMPANY 2003-02-20 US claimed
EP-1067923-A4 2-AROYL-4-ACYL PACLITAXEL (TAXOL) ANALOGS BRISTOL MYERS SQUIBB CO (US) 2002-11-13 EP claimed
EP-1067923-A1 2-AROYL-4-ACYL PACLITAXEL (TAXOL) ANALOGS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-01-17 EP claimed
WO-1999033462-A9 2-AROYL-4-ACYL PACLITAXEL (TAXOL) ANALOGS KINGSTON DAVID GEORGE IAN (US) 1999-09-30 WO claimed
WO-1999033462-A1 2-AROYL-4-ACYL PACLITAXEL (TAXOL) ANALOGS VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 1999-07-08 WO claimed
US-10022454-B2 Functionalized phosphorodiamites for therapeutic oligonucleotide synthesis LIPOSCIENCES, LLC (US) 2018-07-17 US disclosed
US-20170224832-A9 SELF DELIVERING BIO-LABILE PHOSPHATE PROTECTED PRO-OLIGOS FOR OLIGONUCLEOTIDE BASED THERAPEUTICS AND MEDIATING RNA INTERFERENCE PETERSEN SCOTT G (US) 2017-08-10 US disclosed
EP-3067359-A1 SELF DELIVERING BIO-LABILE PHOSPHATE PROTECTED PRO-OLIGOS FOR OLIGONUCLEOTIDE BASED THERAPEUTICS AND MEDIATING RNA INTERFERENCE Petersen, Scott G. (US) 2016-09-14 EP disclosed
US-20140329775-A1 SELF DELIVERING BIO-LABILE PHOSPHATE PROTECTED PRO-OLIGOS FOR OLIGONUCLEOTIDE BASED THERAPEUTICS AND MEDIATING RNA INTERFERENCE PETERSEN SCOTT G (US) 2014-11-06 US disclosed
US-20110294869-A1 SELF DELIVERING BIO-LABILE PHOSPHATE PROTECTED PRO-OLIGOS FOR OLIGONUCLEOTIDE BASED THERAPEUTICS AND MEDIATING RNA INTERFERENCE TRAVERSA THERAPEUTICS, INC. (US) 2011-12-01 US disclosed
EP-2346883-A2 SELF DELIVERING BIO-LABILE PHOSPHATE PROTECTED PRO-OLIGOS FOR OLIGONUCLEOTIDE BASED THERAPEUTICS AND MEDIATING RNA INTERFERENCE Traversa Therapeutics, Inc. (US) 2011-07-27 EP disclosed
WO-2010039543-A2 SELF DELIVERING BIO-LABILE PHOSPHATE PROTECTED PRO-OLIGOS FOR OLIGONUCLEOTIDE BASED THERAPEUTICS AND MEDIATING RNA INTERFERENCE TRAVERSA THERAPEUTICS, INC. (US) 2010-04-08 WO disclosed
EP-0450097-B1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMA CO LTD (JP) 1996-04-24 EP disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
US-5262385-A Pyrimidine ring containing MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1993-11-16 US disclosed
EP-0468766-A1 Halogen-containing compounds, herbicidal composition containing the same as an active ingredient, and intermediary compounds therefor Mitsubishi Chemical Corporation (JP) 1992-01-29 EP disclosed
EP-0450097-A1 BENZOHETEROCYCLIC COMPOUNDS. OTSUKA PHARMA CO LTD (JP) 1991-10-09 EP disclosed
WO-1991005549-A1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 WO disclosed
US-4113939-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1978-09-12 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 (5 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-20140329775-A1 SELF DELIVERING BIO-LABILE PHOSPHATE PROTECTED PRO-OLIGOS FOR OLIGONUCLEOTIDE BASED THERAPEUTICS AND MEDIATING RNA INTERFERENCE POLN, SARNP, NCL TPMT 3886/4885TSHR 3741/4885HCAR1 4112/4885
US-20110294869-A1 SELF DELIVERING BIO-LABILE PHOSPHATE PROTECTED PRO-OLIGOS FOR OLIGONUCLEOTIDE BASED THERAPEUTICS AND MEDIATING RNA INTERFERENCE POLN, SARNP, NCL TPMT 3886/4885TSHR 3741/4885HCAR1 4112/4885
US-10022454-B2 Functionalized phosphorodiamites for therapeutic oligonucleotide synthesis NCL, PHOSPHO1, POLN TPMT 3047/4885TSHR 2644/4885HCAR1 4052/4885
US-20170224832-A9 SELF DELIVERING BIO-LABILE PHOSPHATE PROTECTED PRO-OLIGOS FOR OLIGONUCLEOTIDE BASED THERAPEUTICS AND MEDIATING RNA INTERFERENCE POLN, SARNP, NCL TPMT 3886/4885TSHR 3741/4885HCAR1 4112/4885
US-20030036661-A1 2-Aroyl-4-acyl paclitaxel (taxol) analogs HDAC6, HDAC3, ACAT2 TPMT 3641/4885TSHR 4728/4885HCAR1 1953/4885

“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.