SCHEMBL3829668

SCHEMBL3829668

O=C(CCl)COC(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.55
ALDH1A1 P00352 4/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
KDM4E B2RXH2 2/20 0.54
GAA P10253 2/20 0.54
MAPK1 P28482 2/20 0.53
HIF1A Q16665 2/20 0.53
KMT2A Q03164 2/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A3 Q01959 1/20 0.53
RAB9A P51151 4/20 0.53
NPC1 O15118 3/20 0.53
HPGD P15428 2/20 0.53
LMNA P02545 2/20 0.52
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
TRPA1 O75762 1/20 0.50
GSK3B P49841 1/20 0.50

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
SCHEMBL4586692 0.88 TDP1 (0.63) TDP1ALDH1A1L3MBTL1KDM4EGAA
SCHEMBL714123 0.82 TDP1 (0.57) TDP1ALDH1A1L3MBTL1KDM4EGAA
SCHEMBL712632 0.81 LMNA (0.61) TDP1ALDH1A1L3MBTL1KDM4EGAA
SCHEMBL4523401 0.81 RAB9A (0.57) TDP1ALDH1A1L3MBTL1KDM4EGAA
SCHEMBL4655187 0.80 TDP1 (0.59) TDP1ALDH1A1L3MBTL1KDM4EGAA
SCHEMBL582352 0.79 TDP1 (0.63) TDP1ALDH1A1L3MBTL1KDM4EGAA
SCHEMBL194520 0.79 TDP1 (0.63) TDP1ALDH1A1L3MBTL1KDM4EGAA
SCHEMBL557186 0.79 TDP1 (0.63) TDP1ALDH1A1L3MBTL1KDM4EGAA
SCHEMBL7421565 0.78 PTPN1 (0.53) TDP1ALDH1A1L3MBTL1KDM4EGAA
SCHEMBL30150476 0.78 LMNA (0.62) TDP1ALDH1A1L3MBTL1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3042900-B1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORP (JP) 2020-09-23 EP disclosed
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 US disclosed
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 US disclosed
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 US disclosed
EP-3042900-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF Fujifilm Corporation (JP) 2016-07-13 EP disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 US disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 US disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 US disclosed
US-20150307532-A1 THIENOPYRIMIDINE INHIBITORS OF FARNESYL AND/OR GERANYLGERANYL PYROPHOSPHATE SYNTHASE THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2015-10-29 US disclosed
US-20150307532-A1 THIENOPYRIMIDINE INHIBITORS OF FARNESYL AND/OR GERANYLGERANYL PYROPHOSPHATE SYNTHASE THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2015-10-29 US disclosed
WO-2014078957-A1 THIENOPYRIMIDINE INHIBITORS OF FARNESYL AND/OR GERANYLGERANYL PYROPHOSPHATE SYNTHASE THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2014-05-30 WO disclosed
EP-1449923-B1 NOVEL FORMATE DEHYDROGENASE TOLERANT TO HALOGEN COMPOUNDS AND PROCESS FOR PRODUCING THE SAME KANEKA CORP (JP) 2009-09-16 EP disclosed
US-7432095-B2 Formate dehydrogenase tolerant to halogen compounds and process for producing the same KANEKA CORPORATION (JP) 2008-10-07 US disclosed
US-7432095-B2 Formate dehydrogenase tolerant to halogen compounds and process for producing the same KANEKA CORPORATION (JP) 2008-10-07 US disclosed
US-7432095-B2 Formate dehydrogenase tolerant to halogen compounds and process for producing the same KANEKA CORPORATION (JP) 2008-10-07 US disclosed
US-20050064569-A1 Novel formate dehydrogenase tolerant to halogen compounds and process for producing the same KANEKA CORPORATION (JP) 2005-03-24 US disclosed
EP-1449923-A1 NOVEL FORMATE DEHYDROGENASE TOLERANT TO HALOGEN COMPOUNDS AND PROCESS FOR PRODUCING THE SAME KANEKA CORPORATION (JP) 2004-08-25 EP disclosed
US-6682916-B2 CHEMICAL INTERMEDIATE FOR DRUGS; REDUCTION USING ENZYME KANEKA CORPORATION (JP) 2004-01-27 US disclosed
EP-1298119-A1 CHLOROHYDROXYACETONE DERIVATIVE AND PROCESS FOR PRODUCING OPTICALLY ACTIVE CHLOROPROPANEDIOL DERIVATIVE FROM THE SAME KANEKA CORPORATION (JP) 2003-04-02 EP disclosed
US-20020160398-A1 Chlorohydroxyacetone derivative and process for producing optically active chloropropanediol derivative from the same KANEKA CORPORATION (JP) 2002-10-31 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 (3 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-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF PRMT7, RBBP7, RER1 TDP1 3318/4885ALDH1A1 2519/4885L3MBTL1 1817/4885
US-20150307532-A1 THIENOPYRIMIDINE INHIBITORS OF FARNESYL AND/OR GERANYLGERANYL PYROPHOSPHATE SYNTHASE GGPS1, FDPS, FNTA TDP1 1068/4885ALDH1A1 2029/4885L3MBTL1 2495/4885
US-20050064569-A1 Novel formate dehydrogenase tolerant to halogen compounds and process for producing the same FDPS, IDH1, ADH4 TDP1 302/4885ALDH1A1 218/4885L3MBTL1 2168/4885

“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.