SCHEMBL508188

SCHEMBL508188

CCOC(OCC)c1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.50
ACHE P22303 6/20 0.50
BCHE P06276 5/20 0.50
CHRM2 P08172 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD1 P21728 1/20 0.41
TBXA2R P21731 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
OPRM1 P35372 1/20 0.41
DRD3 P35462 1/20 0.41
SLC6A3 Q01959 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GAA P10253 1/20 0.40
HTR2A P28223 1/20 0.39
CYP2A6 P11509 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL9721323 0.98 PTGS2 (0.49) PTGS2ACHEBCHECHRM2HTR1A
SCHEMBL6394314 0.90 PTGS2 (0.57) PTGS2ACHEBCHECHRM2CHRM1
SCHEMBL1372415 0.89 ACHE (0.42) PTGS2ACHEBCHECHRM2HTR1A
Tetrahydrofuran SCHEMBL28729713 0.85 PTGS2 (0.46) PTGS2ACHEBCHECHRM2HTR1A
SCHEMBL8584928 0.84 CHRM2 (0.51) PTGS2ACHEBCHECHRM2HTR1A
SCHEMBL10230188 0.82 CHRM2 (0.39) PTGS2ACHEBCHECHRM2HTR1A
SCHEMBL10535136 0.81 PTGS2 (0.50) PTGS2ACHEBCHESLC6A2SLC6A4
SCHEMBL3906858 0.81 ACHE (0.50) PTGS2ACHEBCHENPC1RAB9A
SCHEMBL6947245 0.80 ACHE (0.46) PTGS2ACHEBCHESLC6A2SLC6A4
SCHEMBL13314726 0.80 GAA (0.44) PTGS2ACHEBCHECHRM2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114409698-B Triphenylphosphine derivative ligand with large steric hindrance, preparation method and application thereof 东莞理工学院 2024-02-09 CN claimed
CN-117486935-A Heterogeneous catalyst, preparation method and method for catalyzing carbon dioxide conversion by heterogeneous catalyst 肯特催化材料股份有限公司 2024-02-02 CN claimed
CN-114409698-A Triphenylphosphine derivative ligand with large steric hindrance, preparation method and application thereof 东莞理工学院 2022-04-29 CN claimed
CN-103571459-B Aldehyde group functionalized pyridyl benzoimidazole fluorescent material and preparation method thereof UNIV TIANJIN 2015-07-08 CN claimed
CN-103571459-A Aldehyde group functionalized pyridyl benzoimidazole fluorescent material and preparation method thereof UNIV TIANJIN 2014-02-12 CN claimed
JP-6234690-A None JP disclosed
EP-4727591-A1 SMARCA2 DEGRADERS AND USES THEREOF Astrazeneca AB (SE) 2026-04-22 EP disclosed
US-12187712-B2 Cardiac sarcomere inhibitors CYTOKINETICS, INC. (US) 2025-01-07 US disclosed
WO-2024256988-A1 SMARCA2 DEGRADERS AND USES THEREOF ASTRAZENECA AB (SE) 2024-12-19 WO disclosed
US-20240208932-A1 ARYLAMINO DERIVATIVE ESTROGEN RECEPTOR MODULATOR AND USE THEREOF XIZANG HAISCO PHARMACEUTICAL CO., LTD. (CN) 2024-06-27 US disclosed
US-20240186520-A1 RESIN COMPOSITION FOR SECONDARY BATTERY ELECTRODE SEKISUI CHEMICAL CO., LTD. (JP) 2024-06-06 US disclosed
EP-3514140-B1 FLUORINE-BASED COMPOUND, ORGANIC LIGHT-EMITTING DEVICE USING SAME AND METHOD FOR PREPARING SAME LG CHEMICAL LTD (KR) 2024-03-06 EP disclosed
EP-0411736-B1 11-Beta substituted 16-alpha, 17-alpha-methylene-estra-4,9-dien-3-one SCHERING AG (DE) 1994-05-04 EP disclosed
US-5162312-A 11β-substituted 16α, 17α-methylene-estra-4,9-dien-3-ones SCHERING AKTIENGESELLSCHAFT (DE) 1992-11-10 US disclosed
WO-1991001994-A1 11β-SUBSTITUTED 16α,17α-METHYLENE-ESTRA-4,9-DIENE-3-ONES SCHERING AKTIENGESELLSCHAFT BERLIN UND BERGKAMEN (DE) 1991-02-21 WO disclosed
EP-0411736-A1 11-Beta substituted 16-alpha, 17-alpha-methylene-estra-4,9-dien-3-one SCHERING AKTIENGESELLSCHAFT (DE) 1991-02-06 EP disclosed
EP-0153678-A1 Cinnamic acid derivatives, processes for the preparation thereof and pharmaceutical compositions Tanabe Seiyaku Co., Ltd. (JP) 1985-09-04 EP disclosed
US-4427682-A ANTICOAGULANTS, ANTIINFLAMMATORY, HYPOTENSIVE, OR ANTIALLERGEN AGENTS ONO PHARMACEUTICAL CO., LTD. (JP) 1984-01-24 US disclosed
US-4317828-A ANTIINFLAMMATORY AGENTS, HYPOTENSIVE AGENTS ONO PHARMACEUTICAL CO., LTD. (JP) 1982-03-02 US disclosed
US-4271170-A THROMBOXANE SYNTHETASE ENZYME INHIBITOR USEFUL IN TREATING INFLAMMATION, HYPERTENSION, THROMBUS, CEREBRAL APOPLEXY, ASTHMA, AND CARDIOVASCULAR DISORDERS ONO PHARMACEUTICAL CO., LTD., (JP) 1981-06-02 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 (2 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-20240208932-A1 ARYLAMINO DERIVATIVE ESTROGEN RECEPTOR MODULATOR AND USE THEREOF GPER1, ESR1, ESRRA PTGS2 1491/4885ACHE 4547/4885BCHE 3888/4885
US-12187712-B2 Cardiac sarcomere inhibitors TNNI3, TNNT2, MYLK2 PTGS2 2968/4885ACHE 2835/4885BCHE 4787/4885

“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.