SCHEMBL953118

SCHEMBL953118

COc1cccc(C)c1C=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.48
TLR2 O60603 1/20 0.48
TLR1 Q15399 1/20 0.48
TLR6 Q9Y2C9 1/20 0.48
ALDH1A1 P00352 4/20 0.45
ABCG2 Q9UNQ0 1/20 0.44
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
CA4 P22748 1/20 0.42
NQO2 P16083 2/20 0.42
CYP19A1 P11511 1/20 0.42
CYP1A2 P05177 3/20 0.42
CYP1A1 P04798 2/20 0.42
CYP1B1 Q16678 2/20 0.42
SRC P12931 1/20 0.41
AMY1A P0DUB6 1/20 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
SCHEMBL170690 0.87 ERN1 (0.55) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL27685686 0.83 ERN1 (0.52) ERN1TLR2TLR1TLR6ALDH1A1
Bromomethane SCHEMBL28079811 0.83 ERN1 (0.52) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL17662377 0.82 ALDH1A1 (0.39) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL30608693 0.81 ERN1 (0.47) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL12290129 0.80 ALDH1A1 (0.36) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL66979 0.79 ALDH1A1 (0.52) ALDH1A1CA1CA2CA7CA9
SCHEMBL1028678 0.79 ERN1 (0.63) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL91349 0.79 CA12 (0.42) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL13812603 0.79 ALDH1A1 (0.43) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11905378-B2 High-grafting density cyclic comb shaped polymer and preparation method therefor SOOCHOW UNIVERSITY (CN) 2024-02-20 US claimed
US-20210122883-A1 HIGH-GRAFTING DENSITY CYCLIC COMB SHAPED POLYMER AND PREPARATION METHOD THEREFOR SOOCHOW UNIVERSITY (CN) 2021-04-29 US claimed
CN-111943823-A Preparation method of metrafenone 安徽工业大学 2020-11-17 CN claimed
CN-108976426-B High-grafting-density ring comb polymer and preparation method thereof 南通纺织丝绸产业技术研究院 2020-09-25 CN claimed
WO-2020006721-A1 HIGH-GRAFTING DENSITY CYCLIC COMB SHAPED POLYMER AND PREPARATION METHOD THEREFOR 南通纺织丝绸产业技术研究院 2020-01-09 WO claimed
EP-4680612-A1 CHEMICAL COMPOUNDS AN2 Therapeutics, Inc. (US) 2026-01-21 EP disclosed
US-20250382312-A1 BORON CONTAINING PYRAZOLE COMPOUNDS, COMPOSITIONS COMPRISING THEM, METHODS AND USES THEREOF BORAH INC (US) 2025-12-18 US disclosed
US-20250326744-A1 PIPERAZINE DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION FUJIFILM CORPORATION (JP) 2025-10-23 US disclosed
US-12404286-B2 Boron containing pyrazole compounds, compositions comprising them, methods and uses thereof BORAH, INC. (US) 2025-09-02 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
US-20240352045-A1 BORON CONTAINING PYRAZOLE COMPOUNDS, COMPOSITIONS COMPRISING THEM, METHODS AND USES THEREOF BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) 2024-10-24 US disclosed
WO-2024192309-A1 CHEMICAL COMPOUNDS REACTIVE BIOSCIENCES, INC. (US) 2024-09-19 WO disclosed
US-7368463-B2 Substituted 4-amino-1-benzylpiperidine compounds THERAVANCE, INC. (US) 2008-05-06 US disclosed
WO-2008020124-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2008-02-21 WO disclosed
US-20070197621-A1 Method for the treatment of CNS disorders with substituted 2-imidazoles or imidazole derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-23 US disclosed
WO-2007085557-A2 USE OF SUBSTITUTED 2-IMIDAZOLE OF IMIDAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 WO disclosed
EP-1644356-A1 SUBSTITUTED 4-AMINO-1-BENZYLPIPERIDINE COMPOUNDS Theravance, Inc. (US) 2006-04-12 EP disclosed
US-20050026954-A1 Muscarinic receptor antagonists; overactive bladder, irritable bowel syndrome, chronic obstructive pulmonary disease, and asthma THERAVANCE BIOPHARMA R&D IP, LLC 2005-02-03 US disclosed
WO-2005007645-A1 SUBSTITUTED 4-AMINO-1-BENZYLPIPERIDINE COMPOUNDS THERAVANCE, INC. (US) 2005-01-27 WO disclosed
US-4444567-A ALKOXY BENZALDEHYDES, ALKOXY BENZOATES PHILLIPS PETROLEUM COMPANY (US) 1984-04-24 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 (6 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-20250382312-A1 BORON CONTAINING PYRAZOLE COMPOUNDS, COMPOSITIONS COMPRISING THEM, METHODS AND USES THEREOF JAK3, JAK1, JAK2 ERN1 1139/4885TLR2 1079/4885TLR1 443/4885
US-20050026954-A1 Muscarinic receptor antagonists; overactive bladder, irritable bowel syndrome, chronic obstructive pulmonary disease, and asthma CHRM5, CHRM3, CHRM1 ERN1 4677/4885TLR2 439/4885TLR1 188/4885
US-20240352045-A1 BORON CONTAINING PYRAZOLE COMPOUNDS, COMPOSITIONS COMPRISING THEM, METHODS AND USES THEREOF JAK3, JAK1, JAK2 ERN1 1139/4885TLR2 1079/4885TLR1 443/4885
US-20070197621-A1 Method for the treatment of CNS disorders with substituted 2-imidazoles or imidazole derivatives GPR119, PER2, MTNR1B ERN1 4138/4885TLR2 2223/4885TLR1 1770/4885
US-12404286-B2 Boron containing pyrazole compounds, compositions comprising them, methods and uses thereof JAK3, JAK1, JAK2 ERN1 1139/4885TLR2 1079/4885TLR1 443/4885
US-20250326744-A1 PIPERAZINE DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION ABCB11, ABCC1, SLC11A2 ERN1 3094/4885TLR2 701/4885TLR1 261/4885

“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.