SCHEMBL669225

SCHEMBL669225

O=[C]OCc1ccc2c(c1)OCO2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.59
SLC6A4 P31645 2/20 0.53
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TAAR1 Q96RJ0 3/20 0.50
CMA1 P23946 1/20 0.50
CYP1A2 P05177 2/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP2C19 P33261 1/20 0.49
MIF P14174 1/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
CALM1 P0DP23 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
CYP2D6 P10635 1/20 0.46
GAA P10253 1/20 0.45

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
SCHEMBL11874168 0.83 CYP3A4 (0.55) CYP3A4SLC6A4KMT2ATDP1L3MBTL1
SCHEMBL11240060 0.80 CYP3A4 (0.64) CYP3A4SLC6A4KMT2ATDP1L3MBTL1
SCHEMBL30194840 0.80 CYP3A4 (0.64) CYP3A4SLC6A4KMT2ATDP1L3MBTL1
SCHEMBL3417124 0.80 CYP3A4 (0.64) CYP3A4SLC6A4KMT2ATDP1L3MBTL1
SCHEMBL9548239 0.78 CYP3A4 (0.62) CYP3A4SLC6A4KMT2ATDP1L3MBTL1
SCHEMBL2119072 0.77 TAAR1 (0.59) CYP3A4SLC6A4KMT2ATDP1L3MBTL1
SCHEMBL1520844 0.77 CYP3A4 (0.60) CYP3A4SLC6A4KMT2ATDP1L3MBTL1
SCHEMBL8724921 0.77 CYP3A4 (0.60) CYP3A4SLC6A4KMT2ATDP1L3MBTL1
SCHEMBL2090515 0.77 CYP3A4 (0.60) CYP3A4SLC6A4KMT2ATDP1L3MBTL1
SCHEMBL10533406 0.77 CYP3A4 (0.65) CYP3A4SLC6A4TAAR1CYP1A2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501812-B1 PNA MONOMER AND PRECURSOR PANAGENE INC (KR) 2009-12-30 EP claimed
EP-1651642-B1 PNA MONOMER AND PRECURSOR PANAGENE INC (KR) 2009-11-04 EP claimed
US-20070161634-A1 Compounds as CCR5 antagonists SHANGHAI TARGET DRUG CO., LTD. (CN) 2007-07-12 US claimed
US-7211668-B2 PNA monomer and precursor PANAGENE, INC. (KR) 2007-05-01 US claimed
EP-1760079-A1 COMPOUNDS AS COR5 ANTAGONISTS Shanghai Target Drug Co., Ltd. (CN) 2007-03-07 EP claimed
US-7179896-B2 Method of making PNA oligomers PANAGENE, INC. (KR) 2007-02-20 US claimed
EP-1651642-A4 PNA MONOMER AND PRECURSOR PANAGENE INC (KR) 2006-11-29 EP claimed
EP-1501812-A4 PNA MONOMER AND PRECURSOR PANAGENE INC (KR) 2006-05-24 EP claimed
EP-1651642-A1 PNA MONOMER AND PRECURSOR Panagene Inc. (KR) 2006-05-03 EP claimed
US-20060003374-A1 Method of making PNA oligomers KIM SUNG K 2006-01-05 US claimed
US-6969766-B2 PNA monomer and precursor PANAGENE, INC. (KR) 2005-11-29 US claimed
WO-2005009998-A1 PNA MONOMER AND PRECURSOR PANAGENE INC. (US) 2005-02-03 WO claimed
US-20050026930-A1 PNA monomer and precursor PANAGENE, INC. (KR) 2005-02-03 US claimed
EP-1501812-A1 PNA MONOMER AND PRECURSOR Panagene, Inc. (KR) 2005-02-02 EP claimed
US-20030225252-A1 PNA monomer and precursor PANAGENE, INC. (KR) 2003-12-04 US claimed
WO-2003091231-A1 PNA MONOMER AND PRECURSOR PANAGENE, INC. (US) 2003-11-06 WO claimed
CN-112533695-A Enhancing efficiency of photochemical reactions on a substrate 生捷科技控股公司 2021-03-19 CN disclosed
EP-2174936-B1 PNA monomer and precursor PANAGENE INC (KR) 2013-09-04 EP disclosed
US-4374129-A Antibiotically active aminopapulacandin derivatives CIBA-GEIGY CORPORATION (US) 1983-02-15 US disclosed
EP-0054514-A1 Derivatives of aminopapulacandin having antibiotic activity CIBA-GEIGY AG (CH) 1982-06-23 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 (4 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-20030225252-A1 PNA monomer and precursor PNISR, RNGTT, NCL CYP3A4 4571/4885SLC6A4 3814/4885KMT2A 4071/4885
US-20050026930-A1 PNA monomer and precursor RNGTT, POLL, NSUN3 CYP3A4 4099/4885SLC6A4 2780/4885KMT2A 4464/4885
US-20070161634-A1 Compounds as CCR5 antagonists CCR5, CXCR3, CCL5 CYP3A4 722/4885SLC6A4 320/4885KMT2A 4577/4885
US-20060003374-A1 Method of making PNA oligomers RNGTT, POLL, PNISR CYP3A4 4675/4885SLC6A4 3224/4885KMT2A 4022/4885

“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.