SCHEMBL453409

SCHEMBL453409

COc1ccc(F)c(C=O)c1OC

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.43
ALDH1A1 P00352 6/20 0.41
TSHR P16473 1/20 0.41
KRAS P01116 1/20 0.41
TUBB1 Q9H4B7 3/20 0.40
NFE2L2 Q16236 3/20 0.40
ABCG2 Q9UNQ0 1/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP1B1 Q16678 1/20 0.39
AOX1 Q06278 1/20 0.38
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL31813608 1.00 ERN1 (0.43) ERN1ALDH1A1TSHRKRASTUBB1
SCHEMBL29956299 0.86 KRAS (0.37) ERN1ALDH1A1TSHRKRAS
SCHEMBL1478144 0.86 KRAS (0.37) ERN1ALDH1A1TSHRKRAS
SCHEMBL4540717 0.85 ERN1 (0.43) ERN1ALDH1A1TSHRKRASTUBB1
SCHEMBL1001988 0.84 ERN1 (0.48) ERN1ALDH1A1TSHRNFE2L2ABCG2
SCHEMBL29459689 0.84 ERN1 (0.48) ERN1ALDH1A1TSHRNFE2L2ABCG2
SCHEMBL953686 0.82 ERN1 (0.44) ERN1ALDH1A1TSHRKRASTUBB1
SCHEMBL14293093 0.81 KRAS (0.35) ERN1ALDH1A1KRAS
SCHEMBL29712219 0.79 ERN1 (0.46) ERN1ALDH1A1KRASTUBB1
SCHEMBL26112209 0.79 CA1 (0.49) ERN1ALDH1A1KRASTUBB1AOX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4725942-A1 COMPOUNDS ACTIVE ON CYCLIN D1 PATHWAY AND THEIR USE Sibylla Biotech S.p.A. (IT) 2026-04-15 EP disclosed
WO-2025124544-A1 3,4-DIHYDRO-2H-BENZO[B][1,4]DIOXEPANE COMPOUND, AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF 华润医药研究院(深圳)有限公司 2025-06-19 WO disclosed
EP-3625227-B1 BENZOFURANE AND BENZOTHIOPHENE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2022-09-14 EP disclosed
US-20220184236-A1 NANOPARTICLE, CONTRAST AGENT FOR MAGNETIC RESONANCE IMAGING COMPRISING SAME AND ZWITTERIONIC LIGAND COMPOUND National Institutes for Quantum Science and Technology (JP) 2022-06-16 US disclosed
US-11325899-B2 Benzofurane and benzothiophene derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2022-05-10 US disclosed
US-20220089455-A1 METHOD FOR PRODUCING NANOPARTICLE HAVING METAL PARTICLE WHICH CONTAINS IRON OXIDE TO WHICH ONE OR MORE HYDROPHILIC LIGANDS ARE COORDINATION BONDED ASTELLAS PHARMA INC. (JP) 2022-03-24 US disclosed
EP-3904331-A1 NANOPARTICLE, CONTRAST AGENT FOR MAGNETIC RESONANCE IMAGING COMPRISING SAME AND ZWITTERIONIC LIGAND COMPOUND Astellas Pharma Inc. (JP) 2021-11-03 EP disclosed
EP-3904294-A1 METHOD FOR PRODUCING NANOPARTICLES INCLUDING METAL PARTICLES CONTAINING IRON OXIDE HAVING AT LEAST ONE HYDROPHILIC LIGAND COORDINATED THERETO Astellas Pharma Inc. (JP) 2021-11-03 EP disclosed
EP-3251678-B1 BENZOXABOROLE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS ANACOR PHARMACEUTICALS INC (US) 2021-10-20 EP disclosed
EP-3251678-B1 BENZOXABOROLE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS ANACOR PHARMACEUTICALS INC (US) 2021-10-20 EP disclosed
US-6894177-B2 Intermediate compounds of non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2005-05-17 US disclosed
CN-1494545-A Non-nucleoside reverse transcriptase inhibitors ά 2004-05-05 CN disclosed
US-6716850-B2 ESPECIALLY N-(NITROGEN HETEROAR-2-YL)-SUBSTITUTED TETRAHYDROCYCLOPROPA(C)CHROMEN-1-UREAS AND THIOUREAS; TREATING HIV-1, PARTICULARLY A DRUG ESCAPE MUTANT. MEDIVIR AB (SE) 2004-04-06 US disclosed
CN-1143843-C Process for preparing trifluoromethyl sulfoacid 2-trimethylammonium-4,5-dimethoxy-benzaldehyde 中国科学院上海原子核研究所 2004-03-31 CN disclosed
WO-2004021969-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2004-03-18 WO disclosed
EP-1373261-A2 CYCLOPROPAHETEROCYCLES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2004-01-02 EP disclosed
US-20030187266-A1 Non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2003-10-02 US disclosed
US-20030069224-A1 Non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2003-04-10 US disclosed
WO-2002070516-A2 CYCLOPROPAHETEROCYCLES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2002-09-12 WO disclosed
CN-1345720-A Process for preparing trifluoromethyl sulfoacid 2-trimethylammonium-4,5-dimethoxy-benzaldehyde SHANGHAI INST OF ATOMIC NUCLEU (CN) 2002-04-24 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 (5 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-20220089455-A1 METHOD FOR PRODUCING NANOPARTICLE HAVING METAL PARTICLE WHICH CONTAINS IRON OXIDE TO WHICH ONE OR MORE HYDROPHILIC LIGANDS ARE COORDINATION BONDED FTH1, HAMP, TFRC ERN1 4166/4885ALDH1A1 2870/4885TSHR 1072/4885
US-20030069224-A1 Non-nucleoside reverse transcriptase inhibitors SUB1, NAT10, NSUN2 ERN1 175/4885ALDH1A1 1540/4885TSHR 2394/4885
US-20030187266-A1 Non-nucleoside reverse transcriptase inhibitors SUB1, NAT10, NSUN2 ERN1 175/4885ALDH1A1 1540/4885TSHR 2394/4885
US-11325899-B2 Benzofurane and benzothiophene derivatives as PGE2 receptor modulators PTGER4, PTGER1, PTGER2 ERN1 1627/4885ALDH1A1 477/4885TSHR 704/4885
US-20220184236-A1 NANOPARTICLE, CONTRAST AGENT FOR MAGNETIC RESONANCE IMAGING COMPRISING SAME AND ZWITTERIONIC LIGAND COMPOUND CD47, LPAR3, NMRAL1 ERN1 3080/4885ALDH1A1 3785/4885TSHR 2420/4885

“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.