SCHEMBL3961229

SCHEMBL3961229

COc1ccc(COCC=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.52
AGXT P21549 2/20 0.52
TDP1 Q9NUW8 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
APP P05067 5/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
ALOX12 P18054 1/20 0.46
CYP2A6 P11509 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 1/20 0.45
MAOB P27338 1/20 0.44

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
SCHEMBL5795851 0.84 IDO1 (0.61) IDO1AGXTTDP1CA1CA2
SCHEMBL8075893 0.84 IDO1 (0.61) IDO1AGXTTDP1CA1CA2
SCHEMBL5795848 0.84 IDO1 (0.61) IDO1AGXTTDP1CA1CA2
Formic Acid SCHEMBL6366129 0.82 IDO1 (0.53) IDO1AGXTTDP1NPC1RAB9A
SCHEMBL9715527 0.81 TDP1 (0.50) IDO1AGXTTDP1NPC1RAB9A
SCHEMBL1195343 0.81 CA1 (0.45) IDO1AGXTTDP1NPC1RAB9A
SCHEMBL1195340 0.81 CA1 (0.45) IDO1AGXTTDP1NPC1RAB9A
SCHEMBL34413 0.81 IDO1 (0.67) IDO1AGXTTDP1CA1CA2
SCHEMBL12815347 0.81 ALDH1A1 (0.60) IDO1AGXTTDP1CA1CA2
SCHEMBL14952744 0.80 AGXT (0.48) IDO1AGXTNPC1RAB9ACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3953341-A1 NOVEL OXADIAZOLE COMPOUNDS FOR CONTROLLING OR PREVENTING PHYTOPATHOGENIC FUNGI PI Industries Ltd. (IN) 2022-02-16 EP claimed
WO-2020208511-A1 NOVEL OXADIAZOLE COMPOUNDS FOR CONTROLLING OR PREVENTING PHYTOPATHOGENIC FUNGI PI INDUSTRIES LIMITED (IN) 2020-10-15 WO claimed
US-20240228495-A1 Tricyclic Inhibitors of Influenza Virus Endonuclease STANFORD RES INST INT (US) 2024-07-11 US disclosed
EP-3953341-A1 NOVEL OXADIAZOLE COMPOUNDS FOR CONTROLLING OR PREVENTING PHYTOPATHOGENIC FUNGI PI Industries Ltd. (IN) 2022-02-16 EP disclosed
CN-110734456-A compounds, preparation method and medical application thereof 南京谷睿生物科技有限公司 2020-01-31 CN disclosed
US-10292936-B2 Modified alginates for cell encapsulation and cell therapy MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2019-05-21 US disclosed
US-20170239190-A1 MODIFIED ALGINATES FOR CELL ENCAPSULATION AND CELL THERAPY THE CHILDREN'S MEDICAL CENTER CORPORATION 2017-08-24 US disclosed
EP-2792675-B1 COMPOUND AND ASYMMETRIC SYNTHESIS REACTION MICROBIAL CHEM RES FOUND (JP) 2017-04-12 EP disclosed
EP-2792675-B1 COMPOUND AND ASYMMETRIC SYNTHESIS REACTION MICROBIAL CHEM RES FOUND (JP) 2017-04-12 EP disclosed
US-9187498-B2 Compound and asymmetric synthesis reaction MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2015-11-17 US disclosed
US-20150183807-A1 Compound and Asymmetric Synthesis Reaction MICROBIAL CHEM RES FOUND (JP) 2015-07-02 US disclosed
US-6211370-B1 REACTING A DIENOPHILE WITH A 1,3-DIENE HARVARD UNIVERSITY 2001-04-03 US disclosed
JP-2001011007-A PRODUCTION OF BENZYLOXYACETALDEHYDE COMPOUND SUMIKA FINE CHEMICALS CO LTD 2001-01-16 JP disclosed
WO-2001002333-A1 PROCESS FOR PREPARING BENZYLOXYACETALDEHYDE COMPOUNDS SUMIKA FINE CHEMICALS CO., LTD. (JP) 2001-01-11 WO disclosed
US-6147097-A METHOD FOR TREATING AIDS SHIONOGI & CO., LTD. (JP) 2000-11-14 US disclosed
US-6130340-A CATALYST SELECTIVITY; DRUG CHEMICAL INTERMEDIATES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2000-10-10 US disclosed
WO-2000050365-A1 ASYMMETRIC CYCLOADDITION REACTIONS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2000-08-31 WO disclosed
WO-1999036375-A1 ASYMMETRIC CYCLOADDITION REACTIONS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1999-07-22 WO disclosed
US-5910506-A IMIDAZOLE DERIVATIVES, E.G.5-(3,5-DICHLOROPHENYLTHIO)-1,2-DIMETHYL-4-ISOPROPYL-1H-IMIDAZOLE; VIRICIDES; AIDS; NONTOXIC SHIONOGI & CO., LTD. (JP) 1999-06-08 US disclosed
EP-0786455-A1 IMIDAZOLE DERIVATIVE SHIONOGI & CO., LTD. (JP) 1997-07-30 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 (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-10292936-B2 Modified alginates for cell encapsulation and cell therapy ALG1, CD44, CD47 IDO1 2301/4885AGXT 775/4885TDP1 3611/4885
US-20240228495-A1 Tricyclic Inhibitors of Influenza Virus Endonuclease RNASEH1, RNASEL, DNASE1 IDO1 42/4885AGXT 1794/4885TDP1 49/4885
US-20150183807-A1 Compound and Asymmetric Synthesis Reaction CYP2E1, REV1, CYP19A1 IDO1 2100/4885AGXT 264/4885TDP1 3979/4885
US-20170239190-A1 MODIFIED ALGINATES FOR CELL ENCAPSULATION AND CELL THERAPY ALG1, CD44, CD47 IDO1 2301/4885AGXT 775/4885TDP1 3611/4885

“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.