SCHEMBL728493

SCHEMBL728493

O=P([O-])([O-])Oc1cccc2ccccc12.[Na+].[Na+]

nearest known ligand 0.57

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 18)

geneUniProtsupporting neighboursconfidence
PTGS1 known ✓ P23219 1/20 0.43
BTN3A1 O00481 2/20 0.52
GPR84 Q9NQS5 5/20 0.51
HTT P42858 1/20 0.50
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HSD17B10 Q99714 3/20 0.44
KMT2A Q03164 2/20 0.44
OGG1 O15527 1/20 0.44
PGR P06401 1/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
HTR1B P28222 2/20 0.43
MEN1 O00255 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL29769247 1.00 BTN3A1 (0.52) BTN3A1GPR84HTTALDH1A1KDM4E
Silver SCHEMBL11322824 0.98 BTN3A1 (0.51) BTN3A1GPR84HTTALDH1A1KDM4E
SCHEMBL2963442 0.98 BTN3A1 (0.51) BTN3A1GPR84HTTALDH1A1KDM4E
SCHEMBL11322830 0.98 BTN3A1 (0.51) BTN3A1GPR84HTTALDH1A1KDM4E
SCHEMBL8657077 0.98 BTN3A1 (0.51) BTN3A1GPR84HTTALDH1A1KDM4E
Water SCHEMBL12002468 0.98 BTN3A1 (0.51) BTN3A1GPR84HTTALDH1A1KDM4E
SCHEMBL9318274 0.98 BTN3A1 (0.51) BTN3A1GPR84HTTALDH1A1KDM4E
SCHEMBL11673198 0.90 GPR84 (0.64) BTN3A1GPR84HTTALDH1A1KDM4E
SCHEMBL29370194 0.87 BTN3A1 (0.52) BTN3A1GPR84HTTALDH1A1KDM4E
SCHEMBL8883201 0.87 BTN3A1 (0.52) BTN3A1GPR84HTTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119708627-A Preparation method of nano calcium carbonate with good high temperature resistance and flame retardance dispersibility 湖北三峡实验室 2025-03-28 CN claimed
CN-116683025-A Positive electrode sodium supplement additive and sodium ion battery 天津中电新能源研究院有限公司 2023-09-01 CN claimed
CN-106221110-A A kind of thermoplastic elastomer (TPE) being coated with timber 温州市汪洋高分子材料厂 2016-12-14 CN claimed
US-8137956-B2 Forensic test strip and method for the detection of semen ASHBURN STEPHEN PATRICK (US) 2012-03-20 US claimed
CN-119708627-A Preparation method of nano calcium carbonate with good high temperature resistance and flame retardance dispersibility 湖北三峡实验室 2025-03-28 CN disclosed
CN-116683025-A Positive electrode sodium supplement additive and sodium ion battery 天津中电新能源研究院有限公司 2023-09-01 CN disclosed
US-11591563-B2 Post-sporulation modification of spores and biological indicator AMERICAN STERILIZER COMPANY (US) 2023-02-28 US disclosed
CN-217324471-U Cool cotton sense polyester yarn 嘉兴市康飞纺织股份有限公司 2022-08-30 CN disclosed
US-11414641-B2 Article and method for detecting aerobic bacteria 3M INNOVATIVE PROPERTIES COMPANY (US) 2022-08-16 US disclosed
US-20210087516-A1 ARTICLE AND METHOD FOR DETECTING AEROBIC BACTERIA 3M INNOVATIVE PROPERTIES COMPANY 2021-03-25 US disclosed
US-20210061829-A1 Composition, Film, Laminate Structure, Light-Emitting Device, and Display SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-03-04 US disclosed
US-20210024881-A1 POST-SPORULATION MODIFICATION OF SPORES AND BIOLOGICAL INDICATOR AMERICAN STERILIZER COMPANY 2021-01-28 US disclosed
WO-2003010305-A1 IMMORTILIZED STEM CELLS ARHUS AMT (DK) 2003-02-06 WO disclosed
US-6472167-B1 MEASURE VIABLE BACTERIA AS A FUNCTION OF THE ACTIVITIES OF BACTERIAL ENZYMES, PHOSPHATASES, GLUCOSIDASES, AND AMINOPEPTIDASES; PRESENCE DETECTED BY A FLUORESCENT SIGNAL BIOCONTROL SYSTEMS, INC. 2002-10-29 US disclosed
US-6387650-B1 INNOCULATING AND INCUBATING TEST SAMPLE ON GROWTH MEDIUM HAVING ENZYME SUBSTRATES FOR PHOSPHATASE, GLYCOSIDASE, AND PEPTIDASE, THEN DETECTING OR MEASURING SIGNAL PRODUCED BY THE HYDROLYSIS OF THE SUBSTRATES BIOCONTROL SYSTEMS, INC. 2002-05-14 US disclosed
US-20020031757-A1 Method of regenerating a tissue ASAHI MEDICAL CO., LTD. 2002-03-14 US disclosed
US-6180849-B1 Trangenic mice with a disruption in the tiar gene DANA-FARBER CANCER INSTITUTE, INC. 2001-01-30 US disclosed
EP-0870054-A1 METHOD AND COMPOSITION FOR DETECTING BACTERIAL CONTAMINATION IN FOOD PRODUCTS IDEXX LABORATORIES, INC. (US) 1998-10-14 EP disclosed
WO-1996040980-A1 METHOD AND COMPOSITION FOR DETECTING BACTERIAL CONTAMINATION IN FOOD PRODUCTS IDEXX LABORATORIES, INC. (US) 1996-12-19 WO disclosed
EP-0371682-B1 Rapid method for determining efficacy of a sterilization cycle and rapid read-out biological indicator MINNESOTA MINING & MFG (US) 1996-05-22 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 (1 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-20210061829-A1 Composition, Film, Laminate Structure, Light-Emitting Device, and Display TMEM109, ITGB1, ANO1 PTGS1 4564/4885BTN3A1 511/4885GPR84 3318/4885

“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.