SCHEMBL213321

SCHEMBL213321

CC(=O)O/N=C/c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 3/20 0.65
MIF P14174 2/20 0.53
FAAH O00519 6/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
ALDH1A1 P00352 2/20 0.51
TDP1 Q9NUW8 2/20 0.48
GLA P06280 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL213322 1.00 PLA2G7 (0.65) PLA2G7MIFFAAHNPC1RAB9A
SCHEMBL10628164 0.94 PLA2G7 (0.59) PLA2G7MIFFAAHNPC1RAB9A
SCHEMBL13044408 0.86 ALDH1A1 (0.50) PLA2G7MIFFAAHNPC1RAB9A
SCHEMBL13540999 0.86 RAB9A (0.56) PLA2G7MIFFAAHNPC1RAB9A
SCHEMBL13538636 0.86 RAB9A (0.56) PLA2G7MIFFAAHNPC1RAB9A
SCHEMBL4906260 0.85 PLA2G7 (0.49) PLA2G7MIFFAAHNPC1RAB9A
SCHEMBL13437572 0.85 PLA2G7 (0.61) PLA2G7MIFFAAHNPC1RAB9A
SCHEMBL6420965 0.83 PLA2G7 (0.69) PLA2G7MIFFAAHNPC1RAB9A
SCHEMBL10332554 0.82 PLA2G7 (0.67) PLA2G7MIFFAAHNPC1RAB9A
SCHEMBL13044374 0.81 PLA2G7 (0.61) PLA2G7MIFFAAHNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077941-A1 POLYMERS FUNCTIONALIZED WITH PROTECTED OXIME COMPOUNDS BRIDGESTONE CORPORATION (JP) 2012-03-29 US claimed
US-8088868-B2 oximation of cojugated homopolymers formed by addtion polymerization of conjugated diene monomer in the presence lanthanide copmpounds as polymerization catalysts; polymers used in the manufacture of tires having reduced hysteresis BRIDGESTONE CORPORATION (JP) 2012-01-03 US claimed
US-20080146745-A1 POLYMERS FUNCTIONALIZED WITH PROTECTED OXIME COMPOUNDS BRIDGESTONE CORPORATION (JP) 2008-06-19 US claimed
EP-3227018-B1 CHELATION DIRECTED C-H ACTIVATION REACTIONS CATALYZED BY SOLID-SUPPORTED PALLADIUM(II) CATALYSTS UNIV VIRGINIA COMMONWEALTH (US) 2021-06-30 EP disclosed
EP-3356385-B1 18F-TAGGED INHIBITORS OF PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA) AND THEIR USE AS IMAGING AGENTS FOR PROSTATE CANCER DEUTSCHES KREBSFORSCH (DE) 2020-11-11 EP disclosed
US-20190185413-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF QUADRIGA BIOSCIENCES, INC. 2019-06-20 US disclosed
US-10287419-B2 Rubber composition and vulcanization aid SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-05-14 US disclosed
US-10000453-B2 Chelation directed C—H activation reactions catalyzed by solid-supported palladium(II) catalysts VIRGINIA COMMONWEALTH UNIVERSITY (US) 2018-06-19 US disclosed
US-20180078517-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS QUADRIGA BIOSCIENCES, INC. 2018-03-22 US disclosed
US-20170362181-A1 CHELATION DIRECTED C-H ACTIVATION REACTIONS CATALYZED BY SOLID-SUPPORTED PALLADIUM(II) CATALYSTS VIRGINIA COMMONWEALTH UNIVERSITY 2017-12-21 US disclosed
US-20170130028-A1 RUBBER COMPOSITION AND VULCANIZATION AID SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-11 US disclosed
US-20120202158-A1 PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-08-09 US disclosed
US-20120202158-A1 PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-08-09 US disclosed
US-20120077941-A1 POLYMERS FUNCTIONALIZED WITH PROTECTED OXIME COMPOUNDS BRIDGESTONE CORPORATION (JP) 2012-03-29 US disclosed
US-8088868-B2 oximation of cojugated homopolymers formed by addtion polymerization of conjugated diene monomer in the presence lanthanide copmpounds as polymerization catalysts; polymers used in the manufacture of tires having reduced hysteresis BRIDGESTONE CORPORATION (JP) 2012-01-03 US disclosed
US-20110091812-A1 PATTERNING PROCESS AND RESIST COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-04-21 US disclosed
US-20110091812-A1 PATTERNING PROCESS AND RESIST COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-04-21 US disclosed
US-7829257-B2 Photosensitive resin composition CIBA SPECIALTY CHEMICALS CORP. (US) 2010-11-09 US disclosed
US-7829257-B2 Photosensitive resin composition CIBA SPECIALTY CHEMICALS CORP. (US) 2010-11-09 US disclosed
US-20080146745-A1 POLYMERS FUNCTIONALIZED WITH PROTECTED OXIME COMPOUNDS BRIDGESTONE CORPORATION (JP) 2008-06-19 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 (6 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-20170362181-A1 CHELATION DIRECTED C-H ACTIVATION REACTIONS CATALYZED BY SOLID-SUPPORTED PALLADIUM(II) CATALYSTS WASF2, SCO2, SOD1 PLA2G7 4013/4885MIF 1838/4885FAAH 2452/4885
US-10000453-B2 Chelation directed C—H activation reactions catalyzed by solid-supported palladium(II) catalysts WASF2, SOD1, CD274 PLA2G7 4083/4885MIF 1874/4885FAAH 2430/4885
US-10287419-B2 Rubber composition and vulcanization aid CCNA1, RCN1, RER1 PLA2G7 2835/4885MIF 3915/4885FAAH 2403/4885
US-20170130028-A1 RUBBER COMPOSITION AND VULCANIZATION AID CCNA1, RCN1, RER1 PLA2G7 2835/4885MIF 3915/4885FAAH 2403/4885
US-20190185413-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF SLC3A2, SLC7A1, SLC43A1 PLA2G7 4622/4885MIF 2256/4885FAAH 1545/4885
US-20180078517-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS SLC7A1, SLC3A2, SLC1A5 PLA2G7 4654/4885MIF 2549/4885FAAH 1834/4885

“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.