SCHEMBL307762

SCHEMBL307762

O=[N+]([O-])c1ccccc1OP(=O)([O-])[O-].[Na+].[Na+]

nearest known ligand 0.58

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 16)

geneUniProtsupporting neighboursconfidence
ESR2 known ✓ Q92731 1/20 0.42
ALDH1A1 P00352 8/20 0.58
TDP1 Q9NUW8 2/20 0.58
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
RECQL P46063 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.51
HPGD P15428 1/20 0.51
KDM4E B2RXH2 1/20 0.47
KMT2A Q03164 3/20 0.45
HTT P42858 2/20 0.45
MEN1 O00255 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 2/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPT P10636 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
SCHEMBL29981558 1.00 ALDH1A1 (0.58) ALDH1A1TDP1NPC1RAB9ARECQL
Water SCHEMBL14844541 0.98 ALDH1A1 (0.56) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL36924 0.86 ALDH1A1 (0.60) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL6377819 0.83 ALDH1A1 (0.56) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL6009724 0.83 ALDH1A1 (0.56) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL30679480 0.83 ALDH1A1 (0.56) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL8085362 0.83 ALDH1A1 (0.56) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL36926 0.83 ALDH1A1 (0.56) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL2474283 0.83 ALDH1A1 (0.56) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL36925 0.83 ALDH1A1 (0.56) ALDH1A1TDP1NPC1RAB9ARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119685445-A Analysis method and device for detecting activity of acid phosphatase in soil 苏州梦犀生物医药科技有限公司 2025-03-25 CN claimed
CN-118994612-A Sheet zirconium-based metal organic framework material Zr-MOF, and preparation method and application thereof 中山大学 2024-11-22 CN claimed
CN-114199660-B Quality control product for detecting preassembled reagent of microfluidic chip and preparation method thereof 阿里生物技术泰州有限公司 2024-03-19 CN claimed
CN-114199660-A Quality control product for detecting microfluidic chip pre-packaged reagent and preparation method thereof 阿里生物技术泰州有限公司 2022-03-18 CN claimed
US-20260000753-A1 CONSTRUCTS FOR ENHANCING IMMUNE RESPONSES WISTAR INST (US) 2026-01-01 US disclosed
US-12390525-B2 Constructs for enhancing immune responses THE WISTAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2025-08-19 US disclosed
CN-119916022-A SND1 protein kit and application thereof 天津大学四川创新研究院 2025-05-02 CN disclosed
CN-119685445-A Analysis method and device for detecting activity of acid phosphatase in soil 苏州梦犀生物医药科技有限公司 2025-03-25 CN disclosed
CN-119685445-A Analysis method and device for detecting activity of acid phosphatase in soil 苏州梦犀生物医药科技有限公司 2025-03-25 CN disclosed
CN-119504307-A Saline-alkali soil conditioner and application thereof 中国农业大学 2025-02-25 CN disclosed
CN-118718951-A Paranitrophosphate disodium production system 深圳瑞亚力集团有限公司 2024-10-01 CN disclosed
CN-118604348-A Method for quantifying antigen-specific antibody reaction in bovine peripheral blood and application thereof 扬州大学 2024-09-06 CN disclosed
US-5589344-A DIAGNOSTICS JOHNSON & JOHNSON CLINICAL DIAGNOSTICS, INC. (US) 1996-12-31 US disclosed
US-5565326-A ONE STEP CHEMICAL ANALYSIS BY RECEPTOR BINDING ASSAY JOHNSON & JOHNSON CLINICAL DIAGNOSTICS, INC. (US) 1996-10-15 US disclosed
WO-1996011709-A1 SYNTHESIS OF TYPHOID FEVER VACCINE FROM A PLANT OR FRUIT POLYSACCHARIDE THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1996-04-25 WO disclosed
EP-0687910-A1 Test kit and method for competitive specific binding assay Johnson & Johnson Clinical Diagnostics, Inc. (US) 1995-12-20 EP disclosed
EP-0685740-A2 Separation-free specific binding assays using anti-inhibitor antibodies Johnson & Johnson Clinical Diagnostics, Inc. (US) 1995-12-06 EP disclosed
EP-0680338-A1 GANGLIOSIDE-KLH CONJUGATE VACCINES WITH QS-21 Sloan-Kettering Institute For Cancer Research (US) 1995-11-08 EP disclosed
WO-1994016731-A1 GANGLIOSIDE-KLH CONJUGATE VACCINES WITH QS-21 SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1994-08-04 WO disclosed
CN-1089257-A N-phenylthiourea derivatives and pharmaceutical use thereof SANDOZ LTD (CH) 1994-07-13 CN 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-20260000753-A1 CONSTRUCTS FOR ENHANCING IMMUNE RESPONSES CD74, CD47, HAVCR2 ESR2 2573/4885ALDH1A1 4492/4885TDP1 3597/4885

“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.