SCHEMBL5028626

SCHEMBL5028626

[O-2].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
TSHR P16473 6/20 0.33
TDP1 Q9NUW8 5/20 0.33
ALOX12 P18054 3/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
CA12 O43570 1/20 0.33
GLA P06280 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA14 Q9ULX7 1/20 0.33
LMNA P02545 1/20 0.33
ACHE P22303 1/20 0.33
HIF1A Q16665 1/20 0.33
CA7 P43166 1/20 0.33
HSD17B10 Q99714 3/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL30671937 0.92 ALDH1A1 (0.38) ALDH1A1TSHRTDP1ALOX12CA1
SCHEMBL29557118 0.92 ALDH1A1 (0.38) ALDH1A1TSHRTDP1ALOX12CA1
SCHEMBL29445548 0.92 ALDH1A1 (0.38) ALDH1A1TSHRTDP1ALOX12CA1
SCHEMBL29639024 0.92 ALDH1A1 (0.38) ALDH1A1TSHRTDP1ALOX12CA1
Hydrochloric Acid SCHEMBL6494113 0.89 ALDH1A1 (0.35) ALDH1A1TSHRTDP1ALOX12CA1
Hydrochloric Acid SCHEMBL9421519 0.89 ALDH1A1 (0.35) ALDH1A1TSHRTDP1ALOX12CA1
Hydrochloric Acid SCHEMBL28520565 0.89 ALDH1A1 (0.35) ALDH1A1TSHRTDP1ALOX12CA1
Hydrochloric Acid SCHEMBL1643304 0.89 ALDH1A1 (0.35) ALDH1A1TSHRTDP1ALOX12CA1
Hydrochloric Acid SCHEMBL9421516 0.89 ALDH1A1 (0.35) ALDH1A1TSHRTDP1ALOX12CA1
Hydrochloric Acid SCHEMBL29007627 0.89 ALDH1A1 (0.35) ALDH1A1TSHRTDP1ALOX12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10253165-B2 Control of organic impurities in polycarbonate synthesis SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2019-04-09 US claimed
CN-103145924-B Insulating impregnating resin for drawing groove wedge and its curing method HAINING YONGDA ELECTRIC MATERIAL CO LTD 2015-05-20 CN claimed
CN-103145924-A Insulating impregnating resin for drawing groove wedge and its curing method HAINING YONGDA ELECTRIC NEW MATERIALS CO LTD 2013-06-12 CN claimed
US-11945789-B2 Inhibitors of the IRE-1/XBP-1 pathway and methods of using thereof H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2024-04-02 US disclosed
WO-2024038035-A2 POLYMER BRUSHES WITH CHAIN-ENDS FUNCTIONALIZED WITH METAL COORDINATING TWO HETERO ELEMENTS FOR SELECTIVE SURFACE MODIFICATION MERCK PATENT GMBH (DE) 2024-02-22 WO disclosed
US-20240010865-A1 BRUSH POLYMER TERMINATED WITH PHOSPHONATE FOR DSA MERCK PATENT GMBH (DE) 2024-01-11 US disclosed
US-11820726-B2 Motuporamine derivatives as antimicrobial agents and antibiotic enhancers against resistant gram-negative bacteria UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. (US) 2023-11-21 US disclosed
EP-4232486-A1 BRUSH POLYMER TERMINATED WITH PHOSPHONATE FOR DIRECTED SELF-ASSEMBLY (DSA) Merck Patent GmbH (DE) 2023-08-30 EP disclosed
CN-116490527-A Phosphonate terminated brush polymers for directed self-assembly (DSA) 默克专利股份有限公司 2023-07-25 CN disclosed
CN-115703965-A Novel composite fluorescent material and preparation method thereof 阜阳师范大学 2023-02-17 CN disclosed
US-11548846-B2 Method of preparing 8-methyldecanal Panasia (Wuhan) Food Science Technology Co., Ltd (CN) 2023-01-10 US disclosed
US-20030119881-A1 N-((2-hydroxy,3-(alkyloxo),6-halophenyl)-(1,2-cyclopropylene) -),N'-((5-cyano or bromo)pyrid-2-yl)urea; retroviricides; HIV reverse transcriptase inhibitors; prolonged time to virus resistance MEDIVIR AB (SE) 2003-06-26 US disclosed
WO-2003027085-A2 3-PYRIDYL OR 4-ISOQUINOLINYL THIAZOLES AS C17,20 LYASE INHIBITORS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 WO disclosed
US-6486183-B1 Antivirals MEDIVIR AB (SE) 2002-11-26 US disclosed
EP-1054867-A1 ANTIVIRALS MEDIVIR AB (SE) 2000-11-29 EP disclosed
WO-1999036406-A1 ANTIVIRALS MEDIVIR AB (SE) 1999-07-22 WO disclosed
US-4263290-A DIURETICS ROUSSEL UCLAF (FR) 1981-04-21 US disclosed
US-4107217-A INTERMEDIATED 3-ALKENALS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-08-15 US disclosed
US-4088696-A MULTISTAGE FROM AN ACETYLENIC KETONE INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-05-09 US disclosed
US-4045497-A Processes for producing alkenals and intermediates therefor INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-08-30 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 (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-11820726-B2 Motuporamine derivatives as antimicrobial agents and antibiotic enhancers against resistant gram-negative bacteria MGAM, PGLS, NISCH ALDH1A1 4391/4885TSHR 1490/4885TDP1 3097/4885
US-20030119881-A1 N-((2-hydroxy,3-(alkyloxo),6-halophenyl)-(1,2-cyclopropylene) -),N'-((5-cyano or bromo)pyrid-2-yl)urea; retroviricides; HIV reverse transcriptase inhibitors; prolonged time to virus resistance RAD1, POLL, PNPO ALDH1A1 1387/4885TSHR 3128/4885TDP1 274/4885
US-11945789-B2 Inhibitors of the IRE-1/XBP-1 pathway and methods of using thereof XBP1, DDIT3, ERN1 ALDH1A1 2871/4885TSHR 2727/4885TDP1 1053/4885
US-20240010865-A1 BRUSH POLYMER TERMINATED WITH PHOSPHONATE FOR DSA PHOSPHO1, MSN, HLA-DRB1 ALDH1A1 4602/4885TSHR 4671/4885TDP1 2077/4885

“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.