SCHEMBL691620

SCHEMBL691620

Cc1cc(C)c(C(=O)P(=O)(CC(=O)[O-])C(=O)c2c(C)cc(C)cc2C)c(C)c1.[Na+]

nearest known ligand 0.37

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
HPGD P15428 3/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TAS1R3 Q7RTX0 4/20 0.35
TAS1R1 Q7RTX1 4/20 0.35
TAS1R2 Q8TE23 4/20 0.35
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
PGK1 P00558 1/20 0.32
PGK2 P07205 1/20 0.32
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MCOLN3 Q8TDD5 1/20 0.31
GPR84 Q9NQS5 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL1032446 0.82 GAA (0.42) LMNAHPGDKMT2AMEN1SMN1; SMN2
SCHEMBL2710988 0.81 GAA (0.41) LMNAHPGDKMT2AMEN1SMN1; SMN2
SCHEMBL1033218 0.81 LMNA (0.38) LMNAHPGDKMT2AMEN1SMN1; SMN2
SCHEMBL2499305 0.78 HPGD (0.45) LMNAHPGDKMT2AMEN1SMN1; SMN2
SCHEMBL1030595 0.78 POLB (0.40) LMNAHPGDKMT2AMEN1SMN1; SMN2
SCHEMBL1035650 0.77 TAS1R3 (0.36) LMNAHPGDKMT2AMEN1SMN1; SMN2
SCHEMBL1039014 0.77 NLRP3 (0.44) LMNAHPGDKMT2AMEN1SMN1; SMN2
SCHEMBL1035616 0.77 KMT2A (0.40) LMNAHPGDKMT2AMEN1SMN1; SMN2
SCHEMBL28661019 0.76 TAS1R3 (0.40) LMNAHPGDKMT2AMEN1SMN1; SMN2
SCHEMBL15823832 0.76 TAS1R3 (0.40) LMNAHPGDKMT2AMEN1SMN1; SMN2

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-9181358-B2 Polymer nanoparticles ETH ZUERICH (CH) 2015-11-10 US claimed
EP-2421903-B1 POLYMER NANOPARTICLES ETH ZUERICH (CH) 2014-11-19 EP claimed
US-20120115963-A1 POLYMER NANOPARTICLES ETH ZUERICH (CH) 2012-05-10 US claimed
EP-2451847-B1 POLYMER-BOUND BISACYLPHOSPHINE OXIDES IGM GROUP B V (NL) 2021-11-24 EP disclosed
US-10023675-B2 Polymer nanoparticles ETH ZUERICH (CH) 2018-07-17 US disclosed
EP-2630163-B1 ULTRA FAST PROCESS FOR THE PREPARATION OF POLYMER NANOPARTICLES MAX PLANCK GESELLSCHAFT (DE) 2018-05-16 EP disclosed
US-20160024241-A1 POLYMER NANOPARTICLES ETH ZUERICH (CH) 2016-01-28 US disclosed
US-9181358-B2 Polymer nanoparticles ETH ZUERICH (CH) 2015-11-10 US disclosed
US-9120900-B2 Polymer-bound bisacylphosphine oxides BASF SE (DE) 2015-09-01 US disclosed
US-20150025169-A1 POLYMER-BOUND BISACYLPHOSPHINE OXIDES BASF SE (DE) 2015-01-22 US disclosed
US-8921442-B2 Ultra fast process for the preparation of polymer nanoparticles MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E. V. (DE) 2014-12-30 US disclosed
EP-2630164-A1 PROCESS FOR THE MODIFICATION OF POLYMERS, IN PARTICULAR POLYMER NANOPARTICLES Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2013-08-28 EP disclosed
US-20120142805-A1 POLYMER-BOUND BISACYLPHOSPHINE OXIDES BASF SE (DE) 2012-06-07 US disclosed
EP-2451847-A1 POLYMER-BOUND BISACYLPHOSPHINE OXIDES BASF SE (DE) 2012-05-16 EP disclosed
US-20120115963-A1 POLYMER NANOPARTICLES ETH ZUERICH (CH) 2012-05-10 US disclosed
WO-2012052148-A1 ULTRA FAST PROCESS FOR THE PREPARATION OF POLYMER NANOPARTICLES MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2012-04-26 WO disclosed
WO-2012052147-A1 PROCESS FOR THE MODIFICATION OF POLYMERS, IN PARTICULAR POLYMER NANOPARTICLES MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2012-04-26 WO disclosed
EP-2421903-A1 POLYMER NANOPARTICLES ETH Zurich (CH) 2012-02-29 EP disclosed
WO-2011003772-A1 POLYMER-BOUND BISACYLPHOSPHINE OXIDES BASF SE (DE) 2011-01-13 WO disclosed
WO-2010121387-A1 POLYMER NANOPARTICLES ETH Zürich (CH) 2010-10-28 WO 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-20160024241-A1 POLYMER NANOPARTICLES POLQ, POLN, POLA1 LMNA 547/4885HPGD 908/4885KMT2A 3225/4885
US-10023675-B2 Polymer nanoparticles POLQ, POLN, POLA1 LMNA 547/4885HPGD 908/4885KMT2A 3225/4885
US-20120115963-A1 POLYMER NANOPARTICLES POLQ, POLN, POLA1 LMNA 547/4885HPGD 908/4885KMT2A 3225/4885
US-20120142805-A1 POLYMER-BOUND BISACYLPHOSPHINE OXIDES PHOSPHO1, PARG, PEBP1 LMNA 2500/4885HPGD 4209/4885KMT2A 2704/4885

“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.