SCHEMBL305745

SCHEMBL305745

COc1cccc(F)c1C=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.47
NFE2L2 Q16236 1/20 0.47
TLR2 O60603 1/20 0.47
TLR1 Q15399 1/20 0.47
TLR6 Q9Y2C9 1/20 0.47
KRAS P01116 2/20 0.45
ALDH1A1 P00352 2/20 0.44
ABCG2 Q9UNQ0 1/20 0.43
AMY1A P0DUB6 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41

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
SCHEMBL27255077 0.88 NFE2L2 (0.45) ERN1NFE2L2TLR2TLR1TLR6
SCHEMBL30967197 0.88 NFE2L2 (0.45) ERN1NFE2L2TLR2TLR1TLR6
SCHEMBL170690 0.85 ERN1 (0.55) ERN1NFE2L2TLR2TLR1TLR6
SCHEMBL27685686 0.81 ERN1 (0.52) ERN1NFE2L2TLR2TLR1TLR6
Bromomethane SCHEMBL28079811 0.81 ERN1 (0.52) ERN1NFE2L2TLR2TLR1TLR6
SCHEMBL15413980 0.80 ALDH1A1 (0.42) ERN1NFE2L2TLR2TLR1TLR6
SCHEMBL6683418 0.80 ALDH1A1 (0.40) ERN1NFE2L2TLR2TLR1TLR6
SCHEMBL17374938 0.80 NFE2L2 (0.47) NFE2L2KRASALDH1A1ABCG2AMY1A
SCHEMBL14569369 0.80 NFE2L2 (0.47) NFE2L2KRASALDH1A1ABCG2AMY1A
SCHEMBL4540583 0.79 CYP1A2 (0.53) ERN1ALDH1A1KMT2ACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105523908-A Method for preparing 2,3-difluoro-6-methoxy-benzaldehyde TIANJIN HEOWNS BIOCHEMISTRY TECH CO LTD 2016-04-27 CN claimed
CN-105523921-A Method for preparing 2,3-difluoro-6-methoxybenzoic acid TIANJIN HEOWNS BIOCHEMISTRY TECH CO LTD 2016-04-27 CN claimed
EP-4727941-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF Lynk Pharmaceuticals Co. Ltd. (CN) 2026-04-22 EP disclosed
EP-4725942-A1 COMPOUNDS ACTIVE ON CYCLIN D1 PATHWAY AND THEIR USE Sibylla Biotech S.p.A. (IT) 2026-04-15 EP disclosed
US-12459951-B2 Compounds that interact with RAS superfamily proteins for treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY THERAPEUTICS, LLC (US) 2025-11-04 US disclosed
US-20250326744-A1 PIPERAZINE DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION FUJIFILM CORPORATION (JP) 2025-10-23 US disclosed
CN-119816484-A Novel piperazine derivative or salt thereof and pharmaceutical composition 富士胶片株式会社 2025-04-11 CN disclosed
CN-119504619-A Compound with antifungal activity and preparation method and application thereof 江苏省农业科学院 2025-02-25 CN disclosed
EP-4504341-A1 COMPOUNDS THAT INTERACT WITH RAS SUPERFAMILY PROTEINS FOR TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE Shy Therapeutics LLC (US) 2025-02-12 EP disclosed
CN-119365460-A Compounds that interact with Ras superfamily proteins for the treatment of cancer, inflammatory diseases, RAS diseases, and fibrotic diseases 尚医治疗有限责任公司 2025-01-24 CN disclosed
US-20250011330-A1 Imidazo[1,2- a]pyrazine and Imidazo[1,2- a]pyridine Based Tyrosyl-DNA Phosphodiesterase I (TDP1) Inhibitors LEIDOS BIOMEDICAL RESEARCH INC. 2025-01-09 US disclosed
US-5679683-A USEFUL FOR TREATING CANCER, ARTHRITIS, PSORIASIS, VASCULAR RESTENOSIS AND ANGIOGENESIS WARNER-LAMBERT COMPANY (US) 1997-10-21 US disclosed
WO-1997003071-A1 HETEROCYCLYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS KNOLL AKTIENGESELLSCHAFT (DE) 1997-01-30 WO disclosed
CN-1139430-A Tricyclic compounds capable of inhibiting tyrosine kinases of the epidermal growth factor receptor family WARNER LAMBERT CO (US) 1997-01-01 CN disclosed
EP-0741711-A1 TRICYCLIC COMPOUNDS CAPABLE OF INHIBITING TYROSINE KINASES OF THE EPIDERMAL GROWTH FACTOR RECEPTOR FAMILY WARNER-LAMBERT COMPANY (US) 1996-11-13 EP disclosed
WO-1995019970-A1 TRICYCLIC COMPOUNDS CAPABLE OF INHIBITING TYROSINE KINASES OF THE EPIDERMAL GROWTH FACTOR RECEPTOR FAMILY WARNER-LAMBERT COMPANY (US) 1995-07-27 WO disclosed
US-5340833-A Antiarthritic, antiinflammatory, antitumor agents EISAI CO., LTD. (JP) 1994-08-23 US disclosed
EP-0568289-A2 Benzothiophenes and thienothiophenes and related compounds useful, for example, as urokinase inhibitors Eisai Co., Ltd. (JP) 1993-11-03 EP disclosed
CN-1020594-C PREPARATION OF PHENYL NONATETRAENOIC ACID DERIVS. MOFFMANN LA ROCHE & CO AG F (CH) 1993-05-12 CN disclosed
CN-85108591-A Preparation of phenyl-nonatetraenoic acid derivatives 1987-06-03 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 (3 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-20250011330-A1 Imidazo[1,2- a]pyrazine and Imidazo[1,2- a]pyridine Based Tyrosyl-DNA Phosphodiesterase I (TDP1) Inhibitors TDP1, TDP2, TOP1 ERN1 286/4885NFE2L2 3569/4885TLR2 4652/4885
US-12459951-B2 Compounds that interact with RAS superfamily proteins for treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease KRAS, HRAS, NRAS ERN1 2373/4885NFE2L2 702/4885TLR2 3116/4885
US-20250326744-A1 PIPERAZINE DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION ABCB11, ABCC1, SLC11A2 ERN1 3094/4885NFE2L2 3343/4885TLR2 701/4885

“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.