SCHEMBL1920791

SCHEMBL1920791

C=CCc1cc(O)ccc1C(=O)[O-].[Na+]

nearest known ligand 0.41

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
GABRA1 known ✓ P14867 2/20 0.40
GABRB2 known ✓ P47870 2/20 0.40
CA1 known ✓ P00915 2/20 0.37
CA2 known ✓ P00918 2/20 0.37
ESR2 known ✓ Q92731 2/20 0.37
CA12 known ✓ O43570 1/20 0.35
POLB P06746 2/20 0.41
KDM4E B2RXH2 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
ESR1 P03372 2/20 0.37
CES2 O00748 1/20 0.36
PTPN1 P18031 3/20 0.36
ALDH1A1 P00352 4/20 0.35
HPGD P15428 2/20 0.35
TSHR P16473 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
HSP90AB1 P08238 1/20 0.35
GFER P55789 1/20 0.35

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
SCHEMBL1908071 0.84 ALDH1A1 (0.52) POLBGABRA1GABRB2TDP1CA1
SCHEMBL7806960 0.84 GABRA1 (0.43) POLBGABRA1GABRB2KDM4ECA1
SCHEMBL15824990 0.81 GABRA1 (0.41) POLBGABRA1GABRB2KDM4ECA1
SCHEMBL3089041 0.81 HSD17B1 (0.50) POLBGABRA1GABRB2KDM4ECA1
SCHEMBL3283491 0.80 HSP90AB1 (0.42) POLBGABRA1GABRB2ESR1ESR2
SCHEMBL10693946 0.80 CYP3A4 (0.54) GABRA1GABRB2KDM4ECA1CA2
SCHEMBL729988 0.79 HSD17B1 (0.50) POLBKDM4ETDP1CA1CA2
SCHEMBL29230369 0.78 CA12 (0.56) KDM4ECA1CA2PTPN1ALDH1A1
SCHEMBL1355711 0.77 KDM4E (0.47) POLBGABRA1GABRB2KDM4ECA2
SCHEMBL3873140 0.77 CA1 (0.47) POLBGABRA1GABRB2KDM4ETDP1

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
US-20230125630-A1 POLYPHOSPHAZENES, METHODS OF MAKING, AND USES THEREOF UNIV MARYLAND (US) 2023-04-27 US disclosed
US-11472927-B2 Polyphosphazenes, methods of making, and uses thereof UNIVERSITY OF MARYLAND, COLLEGE PARK (US) 2022-10-18 US disclosed
US-20180327550-A1 POLYPHOSPHAZENES, METHODS OF MAKING, AND USES THEREOF UNIVERSITY OF MARYLAND, COLLEGE PARK 2018-11-15 US disclosed
EP-3377560-A1 POLYPHOSPHAZENES, METHODS OF MAKING, AND USES THEREOF University of Maryland, College Park (US) 2018-09-26 EP disclosed
US-20160377620-A1 COMBINATION HEPATITIS C VIRUS ANTIGEN AND ANTIBODY DETECTION METHOD ABBOTT LABORATORIES 2016-12-29 US disclosed
US-9470686-B2 Combination hepatitis C virus antigen and antibody detection method ABBOTT LABORATORIES (US) 2016-10-18 US disclosed
EP-2064551-B1 COMBINATION HEPATITIS C VIRUS ANTIGEN AND ANTIBODY DETECTION METHOD ABBOTT LAB (US) 2015-12-09 EP disclosed
EP-2910949-A1 Combination hepatitis C virus antigen and antibody detection method Abbott Laboratories (US) 2015-08-26 EP disclosed
US-20150177242-A1 COMBINATION HEPATITIS C VIRUS ANTIGEN AND ANTIBODY DETECTION METHOD ABBOTT LABORATORIES 2015-06-25 US disclosed
US-8865398-B2 Combination hepatitis C virus antigen and antibody detection method ABBOTT LABORATORIES (US) 2014-10-21 US disclosed
US-5760271-A Production of polyorganophosphazenes VIRUS RESEARCH INSTITUTE, INC. (US) 1998-06-02 US disclosed
US-5736401-A Stabilized standards and calibrators containing rapamycin and tactrolimus bound to FK binding proteins ABBOTT LABORATORIES (US) 1998-04-07 US disclosed
EP-0832433-A1 STABILIZED STANDARDS AND CALIBRATORS Abbott Laboratories (US) 1998-04-01 EP disclosed
EP-0634016-A4 ASSAY VERIFICATION CONTROL FOR ANALYTICAL METHODS. ABBOTT LAB (US) 1997-06-04 EP disclosed
US-5635406-A Stabilized standards and calibrators containing rapamycin and tacrolimus bound to anti-rapamycin and anti-tacrolimus antibodies ABBOTT LABORATORIES (US) 1997-06-03 US disclosed
WO-1996041184-A1 STABILIZED STANDARDS AND CALIBRATORS ABBOTT LABORATORIES (US) 1996-12-19 WO disclosed
EP-0634016-A1 ASSAY VERIFICATION CONTROL FOR ANALYTICAL METHODS ABBOTT LABORATORIES (US) 1995-01-18 EP disclosed
WO-1994024568-A1 STABLE AQUEOUS FK506 STANDARDS ABBOTT LABORATORIES (US) 1994-10-27 WO disclosed
US-5338684-A Stable aqueous FK506 standards ABBOTT LABORATORIES (US) 1994-08-16 US disclosed
WO-1993020443-A1 ASSAY VERIFICATION CONTROL FOR ANALYTICAL METHODS ABBOTT LABORATORIES (US) 1993-10-14 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 (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-20230125630-A1 POLYPHOSPHAZENES, METHODS OF MAKING, AND USES THEREOF PHOSPHO1, PLCG2, PLCG1 GABRA1 1134/4885GABRB2 1954/4885CA1 299/4885
US-20180327550-A1 POLYPHOSPHAZENES, METHODS OF MAKING, AND USES THEREOF PHOSPHO1, PLCG2, PLCG1 GABRA1 1134/4885GABRB2 1954/4885CA1 299/4885
US-11472927-B2 Polyphosphazenes, methods of making, and uses thereof PHOSPHO1, PLCG2, PLCG1 GABRA1 1134/4885GABRB2 1954/4885CA1 299/4885

“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.